LMucko/crystallography-open-database huggingface dataset:
Two-dimensional crystal phases of graphene monoxide
Radevych, Danylo; Gajdardziska-Josifovska, Marija; Weinert, Michael; Physical Review B 107 (2023) –; doi:10.1103/PhysRevB.107.054104

data_1568399
_publ_section_title
;
 Two-dimensional crystal phases of graphene monoxide
;
_journal_issue                   5
_journal_name_full               'Physical Review B'
_journal_paper_doi               10.1103/PhysRevB.107.054104
_journal_volume                  107
_journal_year                    2023
_chemical_formula_sum            'C4 O4'
_chemical_formula_weight         56.02
_chemical_name_common            'alpha graphene monoxide (alpha-GmO^120)'
_space_group_IT_number           65
_space_group_name_Hall           '-C 2 2'
_space_group_name_H-M_alt        'C m m m'
_space_group.reference_setting   '065:-C 2 2'
_space_group.transform_Pp_abc    a,b,c;0,0,0
_symmetry_Int_Tables_number      65
_symmetry_space_group_name_H-M   'C m m m'
_audit_creation_method           FINDSYM
_cell_angle_alpha                90.0000000000
_cell_angle_beta                 90.0000000000
_cell_angle_gamma                90.0000000000
_cell_formula_units_Z            2
_cell_length_a                   5.09
_cell_length_b                   2.94
_cell_length_c                   25.0000000000
_cell_volume                     374.115
_journal_article_reference       054104
_cod_data_source_file            alpha-gmo120.cif
_cod_data_source_block           findsym-output
_cod_depositor_comments          'DOI added.'
_cod_original_sg_symbol_H-M      'C 2/m 2/m 2/m'
_cod_struct_determination_method theoretical
_cod_database_code               1568399
A de novo strategy for the development of a ZnII–organic framework based luminescent “switch-on” assay for size-exclusive sensitization of the oxidised form of glutathione (GSSG) over the reduced form (GSH): insights into the sensing mechanism through DFT
Bej, Sourav; Das, Riyanka; Kundu, Debojyoti; Pal, Tapan K.; Banerjee, Priyabrata; CrystEngComm 25 (2023) 1626–1636; doi:10.1039/D2CE01600A

data_7246238
_publ_section_title
;
 A de novo strategy for the development of a ZnII--organic framework based
 luminescent &#x201C;switch-on&#x201D; assay for size-exclusive
 sensitization of the oxidised form of glutathione (GSSG) over the reduced
 form (GSH): insights into the sensing mechanism through DFT
;
_journal_issue                   11
_journal_name_full               CrystEngComm
_journal_page_first              1626
_journal_page_last               1636
_journal_paper_doi               10.1039/D2CE01600A
_journal_volume                  25
_journal_year                    2023
_chemical_formula_sum            'C20 H12 N2 O5 Zn'
_chemical_formula_weight         425.690
_space_group_IT_number           13
_space_group_name_Hall           '-P 2yac'
_space_group_name_H-M_alt        'P 1 2/n 1'
_symmetry_Int_Tables_number      13
_symmetry_space_group_name_Hall  '-P 2yac'
_symmetry_space_group_name_H-M   'P 1 2/n 1'
_audit_creation_date             2022-08-31
_audit_creation_method           SHELXL-2019/2
_audit_update_record
;
2022-11-24 deposited with the CCDC.	2023-02-07 downloaded from the CCDC.
;
_cell_angle_alpha                90.000
_cell_angle_beta                 104.136(1)
_cell_angle_gamma                90.000
_cell_formula_units_Z            4
_cell_length_a                   14.2119(4)
_cell_length_b                   9.8544(3)
_cell_length_c                   14.9890(4)
_cell_volume                     2035.64(10)
_refine_ls_R_factor_all          0.060
_cod_data_source_file            d2ce01600a2.cif
_cod_data_source_block           mo_pbcmerisoura
_cod_depositor_comments          'Adding full bibliography for 7246238.cif.'
_cod_original_cell_volume        2035.6(1)
_cod_original_sg_symbol_Hall     -P_2yac
_cod_database_code               7246238
Scale-up synthesis of high-quality solid-state-processed CsCuX (X = Cl, Br, I) perovskite nanocrystal materials toward near-ultraviolet flexible electronic properties
Jiang, Zhi; Liu, Hezhuang; Zou, Jihua; Huang, Yixuan; Xu, Zhaoquan; Pustovyi, Denys; Vitusevich, Svetlana; RSC Advances 13 (2023) 5993–6001; doi:10.1039/D2RA07100B

data_7246298
_publ_section_title
;
 Scale-up synthesis of high-quality solid-state-processed CsCuX (X = Cl,
 Br, I) perovskite nanocrystal materials toward near-ultraviolet flexible
 electronic properties
;
_journal_issue                   9
_journal_name_full               'RSC Advances'
_journal_page_first              5993
_journal_page_last               6001
_journal_paper_doi               10.1039/D2RA07100B
_journal_volume                  13
_journal_year                    2023
_chemical_formula_sum            'Cl5 Cs3 Cu2'
_chemical_name_systematic        'Tricesium Dicopper(I) Chloride'
_space_group_IT_number           62
_space_group_name_Hall           '-P 2ac 2n'
_space_group_name_H-M_alt        'P n m a'
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      62
_symmetry_space_group_name_H-M   'P n m a'
_audit_update_record
;
2018-02-27 deposited with the CCDC.	2023-02-09 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.176
_cell_length_b                   10.505
_cell_length_c                   13.141
_cell_volume                     1266.712
_refine_ls_R_factor_all          0.0771
_cod_data_source_file            d2ra07100b2.cif
_cod_data_source_block           150296-ICSD
_cod_original_cell_volume        1266.71
_cod_database_code               7246298
Scale-up synthesis of high-quality solid-state-processed CsCuX (X = Cl, Br, I) perovskite nanocrystal materials toward near-ultraviolet flexible electronic properties
Jiang, Zhi; Liu, Hezhuang; Zou, Jihua; Huang, Yixuan; Xu, Zhaoquan; Pustovyi, Denys; Vitusevich, Svetlana; RSC Advances 13 (2023) 5993–6001; doi:10.1039/D2RA07100B

data_7246299
_publ_section_title
;
 Scale-up synthesis of high-quality solid-state-processed CsCuX (X = Cl,
 Br, I) perovskite nanocrystal materials toward near-ultraviolet flexible
 electronic properties
;
_journal_issue                   9
_journal_name_full               'RSC Advances'
_journal_page_first              5993
_journal_page_last               6001
_journal_paper_doi               10.1039/D2RA07100B
_journal_volume                  13
_journal_year                    2023
_chemical_formula_sum            'Br5 Cs3 Cu2'
_chemical_name_systematic        'Tricesium Dicopper(I) Bromide'
_space_group_IT_number           62
_space_group_name_Hall           '-P 2ac 2n'
_space_group_name_H-M_alt        'P n m a'
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      62
_symmetry_space_group_name_H-M   'P n m a'
_audit_update_record
;
2018-02-27 deposited with the CCDC.	2023-02-09 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.524
_cell_length_b                   10.979
_cell_length_c                   13.648
_cell_volume                     1427.089
_refine_ls_R_factor_all          0.0342
_cod_data_source_file            d2ra07100b2.cif
_cod_data_source_block           150297-ICSD
_cod_original_cell_volume        1427.09
_cod_database_code               7246299
Scale-up synthesis of high-quality solid-state-processed CsCuX (X = Cl, Br, I) perovskite nanocrystal materials toward near-ultraviolet flexible electronic properties
Jiang, Zhi; Liu, Hezhuang; Zou, Jihua; Huang, Yixuan; Xu, Zhaoquan; Pustovyi, Denys; Vitusevich, Svetlana; RSC Advances 13 (2023) 5993–6001; doi:10.1039/D2RA07100B

data_7246300
_publ_section_title
;
 Scale-up synthesis of high-quality solid-state-processed CsCuX (X = Cl,
 Br, I) perovskite nanocrystal materials toward near-ultraviolet flexible
 electronic properties
;
_journal_issue                   9
_journal_name_full               'RSC Advances'
_journal_page_first              5993
_journal_page_last               6001
_journal_paper_doi               10.1039/D2RA07100B
_journal_volume                  13
_journal_year                    2023
_chemical_formula_sum            'Cs3 Cu2 I5'
_chemical_name_systematic        'Tricesium Dicopper(I) Iodide'
_space_group_IT_number           62
_space_group_name_Hall           '-P 2ac 2n'
_space_group_name_H-M_alt        'P n m a'
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      62
_symmetry_space_group_name_H-M   'P n m a'
_audit_update_record
;
2018-02-27 deposited with the CCDC.	2023-02-09 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   10.1743
_cell_length_b                   11.6532
_cell_length_c                   14.3621
_cell_volume                     1702.816
_refine_ls_R_factor_all          0.0709
_cod_data_source_file            d2ra07100b2.cif
_cod_data_source_block           150298-ICSD
_cod_original_cell_volume        1702.82
_cod_database_code               7246300
Scale-up synthesis of high-quality solid-state-processed CsCuX (X = Cl, Br, I) perovskite nanocrystal materials toward near-ultraviolet flexible electronic properties
Jiang, Zhi; Liu, Hezhuang; Zou, Jihua; Huang, Yixuan; Xu, Zhaoquan; Pustovyi, Denys; Vitusevich, Svetlana; RSC Advances 13 (2023) 5993–6001; doi:10.1039/D2RA07100B

data_7246301
_publ_section_title
;
 Scale-up synthesis of high-quality solid-state-processed CsCuX (X = Cl,
 Br, I) perovskite nanocrystal materials toward near-ultraviolet flexible
 electronic properties
;
_journal_issue                   9
_journal_name_full               'RSC Advances'
_journal_page_first              5993
_journal_page_last               6001
_journal_paper_doi               10.1039/D2RA07100B
_journal_volume                  13
_journal_year                    2023
_chemical_formula_sum            'Cl3 Cs Cu2'
_chemical_name_systematic        'Cesium Dicopper(I) Chloride'
_space_group_IT_number           63
_space_group_name_Hall           '-C 2c 2'
_space_group_name_H-M_alt        'C m c m'
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      63
_symmetry_space_group_name_H-M   'C m c m'
_audit_update_record
;
2018-02-27 deposited with the CCDC.	2023-02-09 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.49808
_cell_length_b                   11.8868
_cell_length_c                   5.5944
_cell_volume                     631.618
_refine_ls_R_factor_all          0.0117
_cod_data_source_file            d2ra07100b2.cif
_cod_data_source_block           150303-ICSD
_cod_original_cell_volume        631.62
_cod_original_formula_sum        'Cl3 Cs1 Cu2'
_cod_database_code               7246301
Scale-up synthesis of high-quality solid-state-processed CsCuX (X = Cl, Br, I) perovskite nanocrystal materials toward near-ultraviolet flexible electronic properties
Jiang, Zhi; Liu, Hezhuang; Zou, Jihua; Huang, Yixuan; Xu, Zhaoquan; Pustovyi, Denys; Vitusevich, Svetlana; RSC Advances 13 (2023) 5993–6001; doi:10.1039/D2RA07100B

data_7246302
_publ_section_title
;
 Scale-up synthesis of high-quality solid-state-processed CsCuX (X = Cl,
 Br, I) perovskite nanocrystal materials toward near-ultraviolet flexible
 electronic properties
;
_journal_issue                   9
_journal_name_full               'RSC Advances'
_journal_page_first              5993
_journal_page_last               6001
_journal_paper_doi               10.1039/D2RA07100B
_journal_volume                  13
_journal_year                    2023
_chemical_formula_sum            'Cs Cu2 I3'
_chemical_name_systematic        'Cesium Dicopper(I) Iodide'
_space_group_IT_number           63
_space_group_name_Hall           '-C 2c 2'
_space_group_name_H-M_alt        'C m c m'
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      63
_symmetry_space_group_name_H-M   'C m c m'
_audit_update_record
;
2018-02-27 deposited with the CCDC.	2023-02-09 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   10.5479
_cell_length_b                   13.1725
_cell_length_c                   6.09718
_cell_volume                     847.156
_refine_ls_R_factor_all          0.015
_cod_data_source_file            d2ra07100b2.cif
_cod_data_source_block           150305-ICSD
_cod_original_cell_volume        847.16
_cod_original_formula_sum        'Cs1 Cu2 I3'
_cod_database_code               7246302
Scale-up synthesis of high-quality solid-state-processed CsCuX (X = Cl, Br, I) perovskite nanocrystal materials toward near-ultraviolet flexible electronic properties
Jiang, Zhi; Liu, Hezhuang; Zou, Jihua; Huang, Yixuan; Xu, Zhaoquan; Pustovyi, Denys; Vitusevich, Svetlana; RSC Advances 13 (2023) 5993–6001; doi:10.1039/D2RA07100B

data_7246303
_publ_section_title
;
 Scale-up synthesis of high-quality solid-state-processed CsCuX (X = Cl,
 Br, I) perovskite nanocrystal materials toward near-ultraviolet flexible
 electronic properties
;
_journal_issue                   9
_journal_name_full               'RSC Advances'
_journal_page_first              5993
_journal_page_last               6001
_journal_paper_doi               10.1039/D2RA07100B
_journal_volume                  13
_journal_year                    2023
_chemical_formula_sum            'Br3 Cs Cu2'
_chemical_name_systematic        'Cesium Dicopper(I) Bromide'
_space_group_IT_number           63
_space_group_name_Hall           '-C 2c 2'
_space_group_name_H-M_alt        'C m c m'
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      63
_symmetry_space_group_name_H-M   'C m c m'
_audit_update_record
;
2018-02-27 deposited with the CCDC.	2023-02-09 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.87123
_cell_length_b                   12.3478
_cell_length_c                   5.81321
_cell_volume                     708.560
_refine_ls_R_factor_all          0.0167
_cod_data_source_file            d2ra07100b2.cif
_cod_data_source_block           150304-ICSD
_cod_original_cell_volume        708.56
_cod_original_formula_sum        'Br3 Cs1 Cu2'
_cod_database_code               7246303
Synthesis and crystal structure of Zr~3~V~3~GeSn~4~
Niang, K.; Parks, D.; Janssen, Y.; Jack Simonson; To be published in Crystals  () –; doi:

data_3000436
_publ_section_title
;
 Synthesis and crystal structure of Zr~3~V~3~GeSn~4~
;
_journal_name_full               'To be published in Crystals'
_chemical_formula_sum            'Ge Sn4 V3 Zr3'
_space_group_name_Hall           '-P 6c 2c'
_space_group_name_H-M_alt        'P 63/m m c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   9.2290(2)
_cell_length_b                   9.2290(2)
_cell_length_c                   5.56710(10)
_cell_measurement_temperature    294
_cell_volume                     410.647(15)
_diffrn_ambient_temperature      294
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_refine_ls_goodness_of_fit_gt    2.14
_refine_ls_goodness_of_fit_ref   2.12
_refine_ls_R_factor_all          0.0174
_refine_ls_R_factor_gt           0.0156
_refine_ls_wR_factor_gt          0.0277
_refine_ls_wR_factor_ref         0.0280
_cod_database_code               3000436
_cod_hold_until_date             2023-04-14
Wu, Jin-Cheng; Escudero-Adan, Eduardo C.; Martinez-Belmonte, Marta; de Mendoza, Javier; To be published in Frontiers in Chemistry  () –; doi:

data_3000433
_journal_name_full               'To be published in Frontiers in Chemistry'
_chemical_formula_sum            'C254 H405 N14 O72 U8'
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_cell_angle_alpha                90
_cell_angle_beta                 95.583(2)
_cell_angle_gamma                90
_cell_length_a                   19.8326(12)
_cell_length_b                   20.0478(12)
_cell_length_c                   68.820(4)
_cell_measurement_temperature    100(2)
_cell_volume                     27233(3)
_diffrn_ambient_temperature      100(2)
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_refine_ls_goodness_of_fit_ref   1.188
_refine_ls_R_factor_all          0.1148
_refine_ls_R_factor_gt           0.0839
_refine_ls_wR_factor_gt          0.1752
_refine_ls_wR_factor_ref         0.1852
_cod_database_code               3000433
_cod_hold_until_date             2023-08-01
The Crystal Structure of Calcium Sebacate by X-ray Powder Diffraction Data
Lopresti, Mattia; Milanesio, Marco; Palin, Luca; Crystals 13 (2023) 261–; doi:10.3390/cryst13020261

data_1568591
_publ_section_title
;
 The Crystal Structure of Calcium Sebacate by X-ray Powder Diffraction
 Data
;
_journal_issue                   2
_journal_name_full               Crystals
_journal_page_first              261
_journal_paper_doi               10.3390/cryst13020261
_journal_volume                  13
_journal_year                    2023
_chemical_absolute_configuration rmad
_chemical_compound_source        Synthesis
_chemical_formula_moiety         'C10 H16 O4 2-, Ca 2+, H2 O'
_chemical_formula_sum            'C10 H18 Ca O5'
_chemical_formula_weight         258.32
_chemical_name_common            'Calcium sebacate'
_chemical_name_systematic        'Calcium decanedioate monohydrate'
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_cell_angle_alpha                79.338(11)
_cell_angle_beta                 81.318(9)
_cell_angle_gamma                82.834(6)
_cell_formula_units_Z            2
_cell_length_a                   5.8633(4)
_cell_length_b                   6.8363(6)
_cell_length_c                   16.0587(16)
_cell_measurement_temperature    293.15
_cell_volume                     622.21(10)
_diffrn_ambient_temperature      293.15
_diffrn_measurement_device_type  'Bruker D8 Advance'
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.54175
_diffrn_source                   'sealed X-ray tube'
_diffrn_source_type              'fine-focus sealed tube'
_exptl_crystal_density_diffrn    1.379
_exptl_crystal_recrystallization_method
'Precipitation via saponification in water medium.'
_pd_char_colour                  white
_pd_char_particle_morphology     'Powder sample'
_pd_meas_2theta_range_max        126
_pd_meas_2theta_range_min        2
_pd_proc_ls_prof_wR_factor       8.832
_pd_spec_mount_mode              reflection
_refine_ls_goodness_of_fit_all   14.065
_refine_ls_R_factor_all          3.851
_cod_data_source_file            CaSebacate_rev3.cif
_cod_data_source_block           Calcium_sebacate_hydrate
_cod_original_formula_sum        'C10 H18 O5 Ca'
_cod_database_code               1568591
Characterization and isolation of an 18-crown-6 complex of potassium hydroxide prepared by milling: application to mechanochemical organic synthesis
Vugrin, Leonarda; Halasz, Ivan; Geneste, Hervé; New Journal of Chemistry 47 (2023) 7466–7469; doi:10.1039/D3NJ00364G

data_7062359
_publ_section_title
;
 Characterization and isolation of an 18-crown-6 complex of potassium
 hydroxide prepared by milling: application to mechanochemical organic
 synthesis
;
_journal_issue                   16
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              7466
_journal_page_last               7469
_journal_paper_doi               10.1039/D3NJ00364G
_journal_volume                  47
_journal_year                    2023
_chemical_formula_moiety         'C12 H24 Cl K O7'
_chemical_formula_sum            'C12 H24 Cl K O7'
_chemical_formula_weight         354.86
_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_space_group_name_H-M   'P 1 21/c 1'
_audit_update_record
;
2022-12-23 deposited with the CCDC.	2023-02-24 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 97.5456(55)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   8.06245(77)
_cell_length_b                   13.9387(12)
_cell_length_c                   8.01697(67)
_cell_measurement_temperature    293
_cell_volume                     893.15(14)
_computing_cell_refinement       Topas
_computing_structure_refinement  Topas
_computing_structure_solution    Topas
_diffrn_ambient_temperature      293
_diffrn_measurement_device_type
;
Panalytical Aeris benchtop laboratory diffractometer
;
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.54056
_exptl_crystal_colour            white
_exptl_crystal_density_diffrn    1.320
_pd_proc_ls_prof_R_factor        0.0832
_pd_proc_ls_prof_wR_factor       0.1079
_refine_ls_goodness_of_fit_all   1.34
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_parameters     40
_refine_ls_R_Fsqd_factor         0.0396
_cod_data_source_file            d3nj00364g2.cif
_cod_data_source_block           1
_cod_depositor_comments          'Adding full bibliography for 7062359.cif.'
_cod_original_sg_symbol_H-M      P21/c
_cod_database_code               7062359
Photocatalytic properties of iodometallates with <i>in situ</i>-generated organic bases as countercations.
Leng, Feng; Zhang, Xiao; Yu, Jie-Hui; Dalton transactions (Cambridge, England : 2003) 52 (2023) 5127–5140; doi:10.1039/d2dt03589h

data_7712613
_publ_section_title
;
 Photocatalytic properties of iodometallates with <i>in situ</i>-generated
 organic bases as countercations.
;
_journal_issue                   16
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              5127
_journal_page_last               5140
_journal_paper_doi               10.1039/d2dt03589h
_journal_volume                  52
_journal_year                    2023
_chemical_formula_sum            'C38 H40 I12 N10 O4 Pb3'
_chemical_formula_weight         2845.170
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_audit_creation_date             21-05-08
_audit_creation_method           'Created with Diamond (www.crystalimpact.com)'
_audit_update_record
;
2021-05-15 deposited with the CCDC.	2023-03-14 downloaded from the CCDC.
;
_cell_angle_alpha                78.374(2)
_cell_angle_beta                 75.527(2)
_cell_angle_gamma                75.996(2)
_cell_formula_units_Z            1
_cell_length_a                   9.0144(5)
_cell_length_b                   11.7278(6)
_cell_length_c                   16.6925(9)
_cell_volume                     1639.14(15)
_refine_ls_R_factor_all          0.053
_cod_data_source_file            d2dt03589h2.cif
_cod_data_source_block           1_CCDC3
_cod_depositor_comments
'Adding full bibliography for 7712610--7712613.cif.'
_cod_original_cell_volume        1639.1(2)
_cod_original_sg_symbol_Hall     -P_1
_cod_database_code               7712613