LMucko/crystallography-open-database huggingface dataset:
Achieving pure room temperature phosphorescence (RTP) in phenoselenazine-based organic emitters through synergism among heavy atom effect, enhanced n → π* transitions and magnified electron coupling by the A-D-A molecular configuration.
Zhong, Daokun; Liu, Siqi; Yue, Ling; Feng, Zhao; Wang, Hongyan; Yang, Peng; Su, Bochao; Yang, Xiaolong; Sun, Yuanhui; Zhou, Guijiang; Chemical science 15 (2024) 9112–9119; doi:10.1039/d4sc01200c

data_1571533
_publ_section_title
;
 Achieving pure room temperature phosphorescence (RTP) in
 phenoselenazine-based organic emitters through synergism among heavy atom
 effect, enhanced n &#x2192; &#x3c0;* transitions and magnified electron
 coupling by the A-D-A molecular configuration.
;
_journal_issue                   24
_journal_name_full               'Chemical science'
_journal_page_first              9112
_journal_page_last               9119
_journal_paper_doi               10.1039/d4sc01200c
_journal_volume                  15
_journal_year                    2024
_chemical_formula_sum            'C38 H26 N O P'
_chemical_formula_weight         543.570
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_audit_creation_date             2017-09-08
_audit_creation_method
'Olex2 1.2(compiled 2017.03.28 svn.r3405 for OlexSys, GUI svn.r5337)'
_audit_update_record
;
2022-02-22 deposited with the CCDC.	2024-05-02 downloaded from the CCDC.
;
_cell_angle_alpha                90.000
_cell_angle_beta                 93.293(8)
_cell_angle_gamma                90.000
_cell_formula_units_Z            4
_cell_length_a                   15.256(12)
_cell_length_b                   8.189(6)
_cell_length_c                   22.995(17)
_cell_volume                     2868(4)
_refine_ls_R_factor_all          0.132
_cod_data_source_file            d4sc01200c2.cif
_cod_data_source_block           1
_cod_depositor_comments          'Adding full bibliography for 1571533.cif.'
_cod_original_cell_volume        2868.1(37)
_cod_original_sg_symbol_Hall     -P_2yn
_cod_database_code               1571533
New Findings on the Crystal Polymorphism of Imepitoin.
Bruni, Giovanna; Capsoni, Doretta; Pellegrini, Anna; Altomare, Angela; Coduri, Mauro; Ferrara, Chiara; Galinetto, Pietro; Molteni, Renato; Molecules (Basel, Switzerland) 29 (2024) 1724–; doi:10.3390/molecules29081724

data_1571555
_publ_section_title
;
 New Findings on the Crystal Polymorphism of Imepitoin.
;
_journal_issue                   8
_journal_name_full               'Molecules (Basel, Switzerland)'
_journal_page_first              1724
_journal_paper_doi               10.3390/molecules29081724
_journal_volume                  29
_journal_year                    2024
_chemical_formula_moiety         'C13 H14 Cl N3 O2'
_chemical_formula_sum            'C13 H14 Cl N3 O2'
_chemical_formula_weight         279.726
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_audit_creation_method           Expo2014
_cell_angle_alpha                90.000
_cell_angle_beta                 107.5586(8)
_cell_angle_gamma                90.000
_cell_formula_units_Z            4
_cell_length_a                   14.8687(6)
_cell_length_b                   7.2434(2)
_cell_length_c                   12.5592(4)
_cell_volume                     1289.60(8)
_diffrn_radiation_wavelength     0.354176
_exptl_absorpt_coefficient_mu    12.216
_exptl_crystal_density_diffrn    1.441
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       powder
_pd_meas_2theta_range_max        19.500
_pd_meas_2theta_range_min        0.002
_pd_proc_ls_prof_R_factor        0.05447
_pd_proc_ls_prof_wR_expected     0.06246
_pd_proc_ls_prof_wR_factor       0.08108
_pd_proc_number_of_points        9750
_refine_ls_goodness_of_fit_all   1.29822
_refine_ls_hydrogen_treatment    constr
_refine_ls_number_parameters     95
_refine_ls_number_reflns         1169
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.29682
_refine_ls_R_I_factor            0.06576
_reflns_d_resolution_high        14.176
_reflns_d_resolution_low         1.046
_reflns_limit_h_max              14
_reflns_limit_h_min              0
_reflns_limit_k_max              6
_reflns_limit_k_min              0
_reflns_limit_l_max              11
_reflns_limit_l_min              -12
_reflns_number_total             1169
_cod_data_source_file            imepitoin_Polymorph_II.cif
_cod_data_source_block           global
_cod_original_cell_volume        1289.61(8)
_cod_database_code               1571555
Nano-crystallites of a ruthenium(iii) violurate complex: synthesis, characterization, PXRD and DFT structural analysis. DNA/HSA-binding, antiviral activity against COVID-19 and molecular docking study
Alhadhrami, Abdulrahman; New Journal of Chemistry 48 (2024) 9718–9737; doi:10.1039/D4NJ00670D

data_7063194
_publ_section_title
;
 Nano-crystallites of a ruthenium(iii) violurate complex: synthesis,
 characterization, PXRD and DFT structural analysis. DNA/HSA-binding,
 antiviral activity against COVID-19 and molecular docking study
;
_journal_issue                   21
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              9718
_journal_page_last               9737
_journal_paper_doi               10.1039/D4NJ00670D
_journal_volume                  48
_journal_year                    2024
_chemical_formula_moiety         'C8 H6 Cl N6 O9 Ru'
_chemical_formula_sum            'C8 H6 Cl N6 O9 Ru'
_chemical_formula_weight         466.691
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_audit_block_doi                 10.5517/ccdc.csd.cc2h3t8q
_audit_creation_method           Expo2014
_audit_update_record
;
2023-09-26 deposited with the CCDC.	2024-05-02 downloaded from the CCDC.
;
_cell_angle_alpha                100.36(11)
_cell_angle_beta                 103.78(9)
_cell_angle_gamma                73.31(11)
_cell_formula_units_Z            2
_cell_length_a                   11.832(15)
_cell_length_b                   10.309(12)
_cell_length_c                   7.057(8)
_cell_volume                     795.0(17)
_diffrn_radiation_type           'Cu K\a~1~'
_diffrn_radiation_wavelength     1.540560
_exptl_absorpt_coefficient_mu    10.110
_exptl_crystal_density_diffrn    1.949
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       powder
_pd_meas_2theta_range_max        79.990
_pd_meas_2theta_range_min        10.000
_pd_proc_ls_prof_R_factor        0.11790
_pd_proc_ls_prof_wR_expected     0.12278
_pd_proc_ls_prof_wR_factor       0.14870
_pd_proc_number_of_points        2334
_refine_ls_goodness_of_fit_all   1.21112
_refine_ls_hydrogen_treatment    constr
_refine_ls_number_parameters     34
_refine_ls_number_reflns         945
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.18984
_refine_ls_R_I_factor            0.22294
_reflns_d_resolution_high        8.509
_reflns_d_resolution_low         1.206
_reflns_limit_h_max              9
_reflns_limit_h_min              0
_reflns_limit_k_max              8
_reflns_limit_k_min              -7
_reflns_limit_l_max              5
_reflns_limit_l_min              -5
_reflns_number_total             945
_cod_data_source_file            d4nj00670d2.cif
_cod_data_source_block           global
_cod_depositor_comments          'Adding full bibliography for 7063194.cif.'
_cod_original_cell_volume        795.1(17)
_cod_database_code               7063194
The crystal structure of synthetic kenyaite, Na2Si20O40(OH)2*8H2O
Marler, B.; Grosskreuz, I.; Gies, H.; Journal of Solid State Chemistry  (2021) 1–12; doi:10.1016/j.jssc.2021.122215

data_1571588
_publ_section_title
;
 The crystal structure of synthetic kenyaite, Na2Si20O40(OH)2*8H2O
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              1
_journal_page_last               12
_journal_paper_doi               10.1016/j.jssc.2021.122215
_journal_volume                  300:122215
_journal_year                    2021
_chemical_formula_sum            'H18 Na2 O50 Si20'
_chemical_name_common            Na2Si20O40(OH)2*8H2O
_chemical_name_mineral           kenyaite
_space_group_IT_number           43
_space_group_name_Hall           'F 2 -2d'
_space_group_name_H-M_alt        'F d d 2'
_cell_angle_alpha                90.000000
_cell_angle_beta                 90.000000
_cell_angle_gamma                90.000000
_cell_formula_units_Z            8
_cell_length_a                   10.0800(10)
_cell_length_b                   79.383(8)
_cell_length_c                   10.6040(10)
_cell_volume                     8485.1(14)
_diffrn_ambient_pressure         100
_diffrn_ambient_temperature      298
_cod_data_source_file            kenyaite.cif
_cod_data_source_block           kenyaite
_cod_original_cell_volume        8485.115861
_cod_original_formula_sum        'Na2 Si20 O50 H18'
_cod_database_code               1571588
Multilevel resistive switching in hydrothermally synthesized FeWO4 thin film-based memristive device for non-volatile memory application
Patil, Amitkumar R.; Dongale, Tukaram D.; Pedanekar, Rupesh S.; Sutar,Santosh S.; Kamat, Rajanish K.; Rajpure, Keshav Y.; Journal of Colloid and Interface Science 669 (2024) 444–; doi:10.1016/j.jcis.2024.04.222

data_1571591
_publ_section_title
;
 Multilevel resistive switching in hydrothermally synthesized FeWO4 thin
 film-based memristive device for non-volatile memory application
;
_journal_name_full               'Journal of Colloid and Interface Science'
_journal_page_first              444
_journal_paper_doi               10.1016/j.jcis.2024.04.222
_journal_volume                  669
_journal_year                    2024
_chemical_formula_structural     FeWO4
_chemical_formula_sum            'Fe O4 W'
_chemical_formula_weight         303.6946
_chemical_name_common            '   light wolframite'
_space_group_IT_number           13
_space_group_name_Hall           '-P 2yc'
_space_group_name_H-M_alt        'P 1 2/c 1'
_cell_angle_alpha                90.0000
_cell_angle_beta                 90.0801
_cell_angle_gamma                90.0000
_cell_formula_units_Z            2
_cell_length_a                   4.7537
_cell_length_b                   5.7244
_cell_length_c                   4.9738
_cell_volume                     135.347
_exptl_crystal_density_diffrn    7.210
_cod_data_source_file            FWO_9.txt
_cod_data_source_block
/var/www/html/cod/tmp/uploads/1715230646.9753-98C9596094087535.cif
_cod_original_cell_volume        135.3493
_cod_original_sg_symbol_H-M      'P 2/c'
_cod_original_formula_sum        'Fe W O4'
_cod_database_code               1571591
High-pressure synthesis of A-site ordered perovskite PbMn<sub>3</sub>(CrMn<sub>3</sub>)O<sub>12</sub> with long-range antiferromagnetic ordering and a spin glass transition.
Xue, Man; Yan, Xiaohui; Xu, Deyang; Zheng, Bin; Guo, Wenbin; Kuang, Xiaojun; Lei, Xiuyun; Yin, Congling; Dalton transactions (Cambridge, England : 2003) 53 (2024) 9819–9826; doi:10.1039/d4dt01357c

data_7716073
_publ_section_title
;
 High-pressure synthesis of A-site ordered perovskite
 PbMn<sub>3</sub>(CrMn<sub>3</sub>)O<sub>12</sub> with long-range
 antiferromagnetic ordering and a spin glass transition.
;
_journal_issue                   23
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              9819
_journal_page_last               9826
_journal_paper_doi               10.1039/d4dt01357c
_journal_volume                  53
_journal_year                    2024
_chemical_formula_sum            'Cr Mn6 O12 Pb'
_chemical_formula_weight         780.812
_chemical_name_mineral           'A-position ordered perovskite'
_space_group_IT_number           204
_space_group_name_Hall           '-I 2 2 3'
_space_group_name_H-M_alt        'I m -3'
_symmetry_cell_setting           cubic
_symmetry_Int_Tables_number      204
_symmetry_space_group_name_H-M   'I m -3'
_audit_update_record
;
2024-03-21 deposited with the CCDC.	2024-05-14 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   7.41679(4)
_cell_length_b                   7.41679(4)
_cell_length_c                   7.41679(4)
_cell_measurement_reflns_used    488
_cell_measurement_temperature    298
_cell_measurement_theta_max      80
_cell_measurement_theta_min      10
_cell_volume                     407.989(4)
_diffrn_ambient_temperature      298
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measurement_device_type  'PANalytical XPERT-PRO'
_diffrn_radiation_wavelength     1.5418
_diffrn_reflns_av_R_equivalents  0.1
_diffrn_reflns_number            3904
_exptl_crystal_description       dark
_cod_data_source_file            d4dt01357c2.cif
_cod_data_source_block           added_by_encifer
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_symmetry_cell_setting' value 'Cubic' was changed to
'cubic' in accordance with the
/home/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 last updated on
2011-04-26.

Automatic conversion script
Id: cif_fix_values 8170 2020-07-09 18:12:32Z antanas 

 Adding full bibliography for 7716073.cif.
;
_cod_original_cell_volume        407.988(7)
_cod_original_sg_symbol_H-M      Im-3
_cod_original_formula_sum        PbMn3Mn3CrO12
_cod_database_code               7716073
Low-temperature synthesis of cation-ordered bulk Zn<sub>3</sub>WN<sub>4</sub> semiconductor <i>via</i> heterovalent solid-state metathesis.
Rom, Christopher L.; O'Donnell, Shaun; Huang, Kayla; Klein, Ryan A.; Kramer, Morgan J.; Smaha, Rebecca W.; Zakutayev, Andriy; Chemical science 15 (2024) 9709–9718; doi:10.1039/d4sc00322e

data_1571667
_publ_section_title
;
 Low-temperature synthesis of cation-ordered bulk
 Zn<sub>3</sub>WN<sub>4</sub> semiconductor <i>via</i> heterovalent
 solid-state metathesis.
;
_journal_issue                   25
_journal_name_full               'Chemical science'
_journal_page_first              9709
_journal_page_last               9718
_journal_paper_doi               10.1039/d4sc00322e
_journal_volume                  15
_journal_year                    2024
_chemical_formula_sum            'Mo N4 Zn3'
_chemical_formula_weight         348.15
_chemical_name_mineral           Zn3MoN4
_space_group_IT_number           31
_space_group_name_Hall           'P 2ac -2'
_space_group_name_H-M_alt        'P m n 21'
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'P 2ac -2'
_symmetry_space_group_name_H-M   'P m n 21'
_audit_update_record
;
2023-11-15 deposited with the CCDC.	2024-05-01 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   6.549(4)
_cell_length_b                   5.673(3)
_cell_length_c                   5.3115(3)
_cell_measurement_reflns_used    531
_cell_measurement_temperature    295(1)
_cell_measurement_theta_max      16.95
_cell_measurement_theta_min      1
_cell_volume                     197.34(16)
_computing_structure_refinement  'Topas Academic'
_diffrn_ambient_temperature      295(1)
_diffrn_measured_fraction_theta_full 1.0
_diffrn_measurement_device_type  '28-ID-2 NSLS-II BNL'
_diffrn_radiation_type           synchrotron
_diffrn_radiation_wavelength     0.1821
_diffrn_reflns_av_R_equivalents  0.0
_diffrn_reflns_number            531
_exptl_crystal_density_diffrn    5.859
_exptl_crystal_description       N/A
_refine_ls_goodness_of_fit_all   1.796
_refine_ls_matrix_type           full
_refine_ls_number_parameters     35
_refine_ls_number_restraints     0
_cod_data_source_file            d4sc00322e2.cif
_cod_data_source_block           Zn3MoN4
_cod_depositor_comments
'Adding full bibliography for 1571667--1571668.cif.'
_cod_database_code               1571667
Low-temperature synthesis of cation-ordered bulk Zn<sub>3</sub>WN<sub>4</sub> semiconductor <i>via</i> heterovalent solid-state metathesis.
Rom, Christopher L.; O'Donnell, Shaun; Huang, Kayla; Klein, Ryan A.; Kramer, Morgan J.; Smaha, Rebecca W.; Zakutayev, Andriy; Chemical science 15 (2024) 9709–9718; doi:10.1039/d4sc00322e

data_1571668
_publ_section_title
;
 Low-temperature synthesis of cation-ordered bulk
 Zn<sub>3</sub>WN<sub>4</sub> semiconductor <i>via</i> heterovalent
 solid-state metathesis.
;
_journal_issue                   25
_journal_name_full               'Chemical science'
_journal_page_first              9709
_journal_page_last               9718
_journal_paper_doi               10.1039/d4sc00322e
_journal_volume                  15
_journal_year                    2024
_chemical_formula_sum            'N8 W1.66 Zn6.34'
_chemical_formula_weight         831.83
_chemical_name_mineral           Zn3WN4
_space_group_IT_number           31
_space_group_name_Hall           'P 2ac -2'
_space_group_name_H-M_alt        'P m n 21'
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'P 2ac -2'
_symmetry_space_group_name_H-M   'P m n 21'
_audit_update_record
;
2024-01-03 deposited with the CCDC.	2024-05-01 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   6.5602(8)
_cell_length_b                   5.6813(7)
_cell_length_c                   5.3235(2)
_cell_measurement_reflns_used    553
_cell_measurement_temperature    295(1)
_cell_measurement_theta_max      16.95
_cell_measurement_theta_min      1
_cell_volume                     198.41(4)
_computing_structure_refinement  'Topas Academic'
_diffrn_ambient_temperature      295(1)
_diffrn_measured_fraction_theta_full 1.0
_diffrn_measurement_device_type  '28-ID-2 NSLS-II BNL'
_diffrn_radiation_type           synchrotron
_diffrn_radiation_wavelength     0.1821
_diffrn_reflns_av_R_equivalents  0.0
_diffrn_reflns_number            553
_exptl_crystal_density_diffrn    6.962
_exptl_crystal_description       N/A
_refine_ls_goodness_of_fit_all   1.885
_refine_ls_matrix_type           full
_refine_ls_number_parameters     42
_refine_ls_number_restraints     0
_cod_data_source_file            d4sc00322e2.cif
_cod_data_source_block           Zn3WN4
_cod_depositor_comments
'Adding full bibliography for 1571667--1571668.cif.'
_cod_original_cell_volume        198.41(3)
_cod_database_code               1571668
Morgan Redington; To be published in Chemistry of Materials  () –; doi:

data_3000499
_journal_name_full               'To be published in Chemistry of Materials'
_chemical_formula_sum            'Ca H16 Li2'
_space_group_name_Hall           '-F 4vw 2vw 3'
_space_group_name_H-M_alt        'F d -3 m :2'
_cell_angle_alpha                90.00000
_cell_angle_beta                 90.00000
_cell_angle_gamma                90.00000
_cell_length_a                   6.57529
_cell_length_b                   6.57529
_cell_length_c                   6.57529
_cell_volume                     284.279
_cod_database_code               3000499
_cod_hold_until_date             2024-11-17
_cod_depositor_requested_release_date 2024-11-17
Morgan Redington; To be published in Chemistry of Materials  () –; doi:

data_3000500
_journal_name_full               'To be published in Chemistry of Materials'
_chemical_formula_sum            'Ca H17 Li2'
_space_group_name_Hall           '-R 3 2"'
_space_group_name_H-M_alt        'R -3 m :H'
_cell_angle_alpha                90.0000000000
_cell_angle_beta                 90.0000000000
_cell_angle_gamma                120.0000000000
_cell_length_a                   5.2341591850
_cell_length_b                   5.2341591850
_cell_length_c                   12.3470625000
_cell_volume                     292.946
_cod_database_code               3000500
_cod_hold_until_date             2024-11-17
_cod_depositor_requested_release_date 2024-11-17
Morgan Redington; To be published in Chemistry of Materials  () –; doi:

data_3000501
_journal_name_full               'To be published in Chemistry of Materials'
_chemical_formula_sum            'Ca Li2'
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_cell_angle_alpha                90.0000000000
_cell_angle_beta                 90.2793870387
_cell_angle_gamma                90.0000000000
_cell_length_a                   4.0163196000
_cell_length_b                   3.7712665000
_cell_length_c                   6.5325604640
_cell_volume                     98.945
_cod_database_code               3000501
_cod_hold_until_date             2024-11-17
_cod_depositor_requested_release_date 2024-11-17
Morgan Redington; To be published in Chemistry of Materials  () –; doi:

data_3000502
_journal_name_full               'To be published in Chemistry of Materials'
_chemical_formula_sum            'Ca H10 Li2'
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_cell_angle_alpha                107.5214855963
_cell_angle_beta                 101.7462875858
_cell_angle_gamma                102.1672524697
_cell_length_a                   3.1672211947
_cell_length_b                   5.0113249223
_cell_length_c                   6.2672046967
_cell_volume                     88.841
_cod_database_code               3000502
_cod_hold_until_date             2024-11-17
_cod_depositor_requested_release_date 2024-11-17
Morgan Redington; To be published in Chemistry of Materials  () –; doi:

data_3000503
_journal_name_full               'To be published in Chemistry of Materials'
_chemical_formula_sum            'Ca H11 Li2'
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_cell_angle_alpha                88.2126846181
_cell_angle_beta                 80.1861307998
_cell_angle_gamma                74.6406978601
_cell_length_a                   3.3287516404
_cell_length_b                   5.1533578551
_cell_length_c                   5.7312472634
_cell_volume                     93.406
_cod_database_code               3000503
_cod_hold_until_date             2024-11-17
_cod_depositor_requested_release_date 2024-11-17
Morgan Redington; To be published in Chemistry of Materials  () –; doi:

data_3000504
_journal_name_full               'To be published in Chemistry of Materials'
_chemical_formula_sum            'Ca H12 Li2'
_space_group_name_Hall           '-P 2yb'
_space_group_name_H-M_alt        'P 1 21/m 1'
_cell_angle_alpha                90.0000000000
_cell_angle_beta                 93.5219612477
_cell_angle_gamma                90.0000000000
_cell_length_a                   3.0493352102
_cell_length_b                   3.4212053793
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_cell_volume                     97.261
_cod_database_code               3000504
_cod_hold_until_date             2024-11-17
_cod_depositor_requested_release_date 2024-11-17
Morgan Redington; To be published in Chemistry of Materials  () –; doi:

data_3000505
_journal_name_full               'To be published in Chemistry of Materials'
_chemical_formula_sum            'Ca H13 Li2'
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_cell_angle_alpha                93.9379225001
_cell_angle_beta                 105.6578465881
_cell_angle_gamma                106.4355725041
_cell_length_a                   3.3451001080
_cell_length_b                   5.5211547329
_cell_length_c                   6.0198972059
_cell_volume                     101.406
_cod_database_code               3000505
_cod_hold_until_date             2024-11-17
_cod_depositor_requested_release_date 2024-11-17