LMucko/crystallography-open-database huggingface dataset:
Fast and slow integrated single-molecule dual dielectric switch based on a crystal/flexible thin film
Xu, Chang; Zhang, Wan-Ying; Chen, Cheng; Ye, Qiong; Fu, Da-Wei; Journal of Materials Chemistry C 5 (2017) 6945–; doi:10.1039/C7TC02087B

data_7236817
_publ_section_title
;
 Fast and slow integrated single-molecule dual dielectric switch based on
 a crystal/flexible thin film
;
_journal_issue                   28
_journal_name_full               'Journal of Materials Chemistry C'
_journal_page_first              6945
_journal_paper_doi               10.1039/C7TC02087B
_journal_volume                  5
_journal_year                    2017
_chemical_formula_sum            'C12 H29 Cd Cl6 N2 O2'
_chemical_formula_weight         558.470
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_symmetry_Int_Tables_number      15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_audit_creation_date             2017-01-16
_audit_creation_method           SHELXL-97
_audit_update_record
;
2017-04-10 deposited with the CCDC.
2017-06-26 downloaded from the CCDC.
;
_cell_angle_alpha                90.000
_cell_angle_beta                 113.897(13)
_cell_angle_gamma                90.000
_cell_formula_units_Z            4
_cell_length_a                   16.407(14)
_cell_length_b                   9.691(7)
_cell_length_c                   15.708(13)
_cell_volume                     2283(3)
_refine_ls_R_factor_all          0.119
_cod_data_source_file            c7tc02087b2.cif
_cod_data_source_block           xc1
_cod_original_cell_volume        2283.5(30)
_cod_original_sg_symbol_Hall     -C_2yc
_cod_database_code               7236817
New Internal-Charge-Transfer Second-Order Nonlinear Optical Chromophores Based on the Donor Ferrocenylpyrazole Moiety
Senthilkumar, Kabali; Pizzotti, Maddalena; Thirumoorthy, Krishnan; Di Carlo, Gabriele; Righetto, Stefania; Orbelli Biroli, Alessio; Haukka, Matti; Palanisami, Nallasamy; The Journal of Physical Chemistry C 120 (2016) 20277–; doi:10.1021/acs.jpcc.6b06364

data_1554083
_publ_section_title
;
 New Internal-Charge-Transfer Second-Order Nonlinear Optical Chromophores
 Based on the Donor Ferrocenylpyrazole Moiety
;
_journal_issue                   36
_journal_name_full               'The Journal of Physical Chemistry C'
_journal_page_first              20277
_journal_paper_doi               10.1021/acs.jpcc.6b06364
_journal_volume                  120
_journal_year                    2016
_chemical_formula_sum            'C20 H17 F Fe N2'
_chemical_formula_weight         360.200
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_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_date             2015-05-27
_audit_creation_method           SHELXL-2014/7
_audit_update_record             2015-05-27
_cell_angle_alpha                90.000
_cell_angle_beta                 109.922(2)
_cell_angle_gamma                90.000
_cell_formula_units_Z            4
_cell_length_a                   15.4527(2)
_cell_length_b                   9.9630(1)
_cell_length_c                   10.9741(2)
_cell_volume                     1588.41(4)
_refine_ls_R_factor_all          0.031
_cod_data_source_file            jp6b06364_si_002.cif
_cod_data_source_block           2
_cod_original_cell_volume        1588.4(0)
_cod_original_sg_symbol_Hall     -P_2ybc
_cod_database_code               1554083
An intrinsic dual-emitting gold thiolate coordination polymer, [Au(+I)(p-SPhCO2H)]n, for ratiometric temperature sensing
Veselska, Oleksandra; Okhrimenko, Larysa; Guillou, Nathalie; Podbevšek, Darjan; Ledoux, Gilles; Dujardin, Christophe; Monge, Miguel; Chevrier, Daniel M.; Yang, Rui; Zhang, Peng; Fateeva, Alexandra; Demessence, Aude; J. Mater. Chem. C 5 (2017) 9843–; doi:10.1039/C7TC03605A

data_7236918
_publ_section_title
;
 An intrinsic dual-emitting gold thiolate coordination polymer,
 [Au(+I)(p-SPhCO2H)]n, for ratiometric temperature sensing
;
_journal_issue                   38
_journal_name_full               'J. Mater. Chem. C'
_journal_page_first              9843
_journal_paper_doi               10.1039/C7TC03605A
_journal_volume                  5
_journal_year                    2017
_chemical_formula_sum            'C7 H5 Au O2 S'
_chemical_formula_weight         350.15
_space_group_IT_number           1
_space_group_name_Hall           'P 1'
_space_group_name_H-M_alt        'P 1'
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_H-M   'P 1'
_audit_update_record
;
2017-03-22 deposited with the CCDC.
2017-09-13 downloaded from the CCDC.
;
_cell_angle_alpha                84.8666(51)
_cell_angle_beta                 86.2921(51)
_cell_angle_gamma                88.2557(51)
_cell_formula_units_Z            2
_cell_length_a                   4.51809(36)
_cell_length_b                   5.40840(38)
_cell_length_c                   14.86056(86)
_cell_measurement_temperature    293
_cell_volume                     360.80(4)
_computing_molecular_graphics    DIAMOND
_computing_structure_refinement  TOPAS
_computing_structure_solution    TOPAS
_diffrn_ambient_temperature      293
_diffrn_radiation_monochromator  'Ge(111) monochromator'
_diffrn_radiation_type           'CuKa1 radiation'
_diffrn_radiation_wavelength     1.5406
_diffrn_source                   'X-ray sealed tube'
_exptl_crystal_colour            Colourless
_pd_meas_2theta_range_inc        0.010119
_pd_meas_2theta_range_max        100.00
_pd_meas_2theta_range_min        3.000
_pd_proc_2theta_range_inc        0.010
_pd_proc_2theta_range_max        100.000
_pd_proc_2theta_range_min        4.000
_pd_proc_ls_background_function  'Chebychev polynomial'
_pd_proc_ls_profile_function     'spherical harmonics'
_pd_proc_ls_prof_R_factor        0.052
_pd_proc_ls_prof_wR_factor       0.070
_pd_spec_mounting                'glass capillary'
_pd_spec_mount_mode              transmission
_pd_spec_shape                   cylinder
_refine_ls_goodness_of_fit_all   5.21
_refine_ls_number_reflns         757
_refine_ls_number_restraints     4
_refine_ls_R_I_factor            0.031
_cod_data_source_file            c7tc03605a2.cif
_cod_data_source_block           Au-SPhCO2H
_cod_original_cell_volume        360.803(44)
_cod_original_sg_symbol_H-M      P1
_cod_database_code               7236918
_refine_ls_number_structural_parameters 29
_refine_ls_number_profile_parameters 53
Three polymorphs of one luminogen: how the molecular packing affects the RTP and AIE properties?
Yang, Jie; Ren, Zichun; Chen, Bin; Fang, Manman; Zhao, Zujin; Tang, Ben Zhong; Peng, Qian; Li, Zhen; Journal of Materials Chemistry C 5 (2017) 9242–; doi:10.1039/C7TC03656F

data_7236920
_publ_section_title
;
 Three polymorphs of one luminogen: how the molecular packing affects the
 RTP and AIE properties?
;
_journal_issue                   36
_journal_name_full               'Journal of Materials Chemistry C'
_journal_page_first              9242
_journal_paper_doi               10.1039/C7TC03656F
_journal_volume                  5
_journal_year                    2017
_chemical_formula_sum            'C19 H12 N2 S'
_chemical_formula_weight         300.370
_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             2017-01-11
_audit_creation_method           SHELXL-97
_audit_update_record
;
2017-06-10 deposited with the CCDC.
2017-08-28 downloaded from the CCDC.
;
_cell_angle_alpha                91.281(1)
_cell_angle_beta                 109.390(1)
_cell_angle_gamma                111.059(1)
_cell_formula_units_Z            4
_cell_length_a                   10.3472(10)
_cell_length_b                   12.6805(12)
_cell_length_c                   12.7346(12)
_cell_volume                     1451.7(2)
_exptl_crystal_density_meas      0.000
_refine_ls_R_factor_all          0.044
_cod_data_source_file            c7tc03656f3.cif
_cod_data_source_block           mo_161226d_0m
_cod_original_sg_symbol_Hall     -P_1
_cod_database_code               7236920
Dramatic impact of the lattice solvent on the dynamic magnetic relaxation of dinuclear dysprosium single-molecule magnets
Zhang, Wan-Ying; Zhang, Yi-Quan; Jiang, Shang-Da; Sun, Wen-Bin; Li, Hong-Feng; Wang, Bing-Wu; Chen, Peng; Yan, Peng-Fei; Gao, Song; Inorganic Chemistry Frontiers 5 (2018) 1575–; doi:10.1039/C8QI00266E

data_4349861
_publ_section_title
;
 Dramatic impact of the lattice solvent on the dynamic magnetic relaxation
 of dinuclear dysprosium single-molecule magnets
;
_journal_issue                   7
_journal_name_full               'Inorganic Chemistry Frontiers'
_journal_page_first              1575
_journal_paper_doi               10.1039/C8QI00266E
_journal_volume                  5
_journal_year                    2018
_chemical_formula_sum            'C80 H66 Cl12 O14 Y2'
_chemical_formula_weight         1854.550
_space_group_IT_number           1
_space_group_name_Hall           'P 1'
_space_group_name_H-M_alt        'P 1'
_audit_creation_date             15-01-06
_audit_creation_method           'Created with Diamond (www.crystalimpact.com)'
_audit_update_record
;
2015-07-16 deposited with the CCDC.
2018-05-02 downloaded from the CCDC.
;
_cell_angle_alpha                103.008(5)
_cell_angle_beta                 92.037(5)
_cell_angle_gamma                108.773(5)
_cell_formula_units_Z            1
_cell_length_a                   11.7403(7)
_cell_length_b                   13.8267(8)
_cell_length_c                   13.9874(9)
_cell_volume                     2080.2(2)
_refine_ls_R_factor_all          0.104
_cod_data_source_file            c8qi00266e2.cif
_cod_data_source_block           1_CCDC1
_cod_database_code               4349861
A novel approach for facilitating the targeted synthesis of silicoaluminophosphates
Yan, Nana; Wang, Lei; Liu, Xiaona; Wu, Pengfei; Sun, Tantan; Xu, Shutao; Han, Jingfeng; Guo, Peng; Tian, Peng; Liu, Zhongmin; Journal of Materials Chemistry A 6 (2018) 24186–; doi:10.1039/C8TA08134D

data_7237211
_publ_section_title
;
 A novel approach for facilitating the targeted synthesis of
 silicoaluminophosphates
;
_journal_issue                   47
_journal_name_full               'Journal of Materials Chemistry A'
_journal_page_first              24186
_journal_paper_doi               10.1039/C8TA08134D
_journal_volume                  6
_journal_year                    2018
_chemical_formula_moiety
'	0.167(C32 H88 N8), Al3.95 O16 P2.70 Si1.35, 2.08(O), 1.25(H)'
_chemical_formula_sum
'C5.33 H15.92 Al3.95 N1.33 O18.08 P2.7 Si1.35'
_chemical_formula_weight         616.19
_chemical_name_common            DNL-6-DEA
_space_group_IT_number           211
_space_group_name_Hall           'I 4 2 3'
_space_group_name_H-M_alt        'I 4 3 2'
_symmetry_cell_setting           cubic
_symmetry_Int_Tables_number      211
_symmetry_space_group_name_Hall  'I 4 2 3'
_symmetry_space_group_name_H-M   'I 4 3 2'
_audit_update_record
;
2018-06-04 deposited with the CCDC.
2018-10-25 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            6
_cell_length_a                   15.16970(10)
_cell_length_b                   15.16970(10)
_cell_length_c                   15.16970(10)
_cell_measurement_temperature    25
_cell_measurement_theta_max      60
_cell_measurement_theta_min      2.5
_cell_volume                     3490.85(4)
_computing_structure_refinement  TOPAS
_diffrn_ambient_temperature      25
_diffrn_measurement_device_type  STOE
_diffrn_radiation_probe          x-ray
_diffrn_radiation_source         'X-ray tube'
_diffrn_radiation_type           'Cu Ka1'
_diffrn_radiation_wavelength     1.5406
_exptl_absorpt_coefficient_mu    4.949
_exptl_crystal_colour            White
_exptl_crystal_density_diffrn    1.759
_pd_proc_ls_prof_R_factor        0.0165
_pd_proc_ls_prof_wR_expected     0.0161
_pd_proc_ls_prof_wR_factor       0.0240
_refine_ls_goodness_of_fit_all   1.489
_refine_ls_hydrogen_treatment    mixed
_refine_ls_number_parameters     58
_refine_ls_R_I_factor            0.0110
_cod_data_source_file            c8ta08134d2.cif
_cod_data_source_block           DNL_6_DEA
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_diffrn_radiation_probe' value 'X-ray' was changed to
'x-ray' in accordance with the
/home/saulius/struct/COD-crude-data/automatic-downloads/DataCite-retrospective/RSC/depositions/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 6909 2019-04-08 15:41:33Z antanas 
;
_cod_original_sg_symbol_Hall     ' 	I 4 2 3'
_cod_original_formula_sum
'C5.33 H15.92 Al3.95 N1.33 O18.08 P2.70 Si1.35'
_cod_database_code               7237211
A novel approach for facilitating the targeted synthesis of silicoaluminophosphates
Yan, Nana; Wang, Lei; Liu, Xiaona; Wu, Pengfei; Sun, Tantan; Xu, Shutao; Han, Jingfeng; Guo, Peng; Tian, Peng; Liu, Zhongmin; Journal of Materials Chemistry A 6 (2018) 24186–; doi:10.1039/C8TA08134D

data_7237212
_publ_section_title
;
 A novel approach for facilitating the targeted synthesis of
 silicoaluminophosphates
;
_journal_issue                   47
_journal_name_full               'Journal of Materials Chemistry A'
_journal_page_first              24186
_journal_paper_doi               10.1039/C8TA08134D
_journal_volume                  6
_journal_year                    2018
_chemical_formula_moiety
'C13.16 H37.26 Al7.43 N2.47 O32.98 P5.33 Si3.23'
_chemical_formula_sum
'C13.16 H37.26 Al7.43 N2.47 O32.98 P5.33 Si3.23'
_chemical_formula_weight         1214.40
_space_group_IT_number           211
_space_group_name_Hall           'I 4 2 3'
_space_group_name_H-M_alt        'I 4 3 2'
_symmetry_cell_setting           cubic
_symmetry_Int_Tables_number      211
_symmetry_space_group_name_Hall  'I 4 2 3'
_symmetry_space_group_name_H-M   'I 4 3 2'
_audit_update_record
;
2018-06-04 deposited with the CCDC.
2018-10-25 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            3
_cell_length_a                   15.16300(10)
_cell_length_b                   15.16300(10)
_cell_length_c                   15.16300(10)
_cell_measurement_temperature    25
_cell_measurement_theta_max      60
_cell_measurement_theta_min      2.5
_cell_volume                     3486.22(4)
_computing_structure_refinement  TOPAS
_diffrn_ambient_temperature      25
_diffrn_measurement_device_type  STOE
_diffrn_radiation_probe          x-ray
_diffrn_radiation_source         'X-ray tube'
_diffrn_radiation_type           'Cu Ka1'
_diffrn_radiation_wavelength     1.5406
_exptl_absorpt_coefficient_mu    4.915
_exptl_crystal_colour            white
_exptl_crystal_density_diffrn    1.735
_pd_proc_ls_prof_R_factor        0.0212
_pd_proc_ls_prof_wR_expected     0.0148
_pd_proc_ls_prof_wR_factor       0.0308
_refine_ls_goodness_of_fit_all   2.078
_refine_ls_hydrogen_treatment    mixed
_refine_ls_number_parameters     55
_refine_ls_R_I_factor            0.0166
_cod_data_source_file            c8ta08134d2.cif
_cod_data_source_block           DNL_6_MPeA
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_diffrn_radiation_probe' value 'X-ray' was changed to
'x-ray' in accordance with the
/home/saulius/struct/COD-crude-data/automatic-downloads/DataCite-retrospective/RSC/depositions/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 6909 2019-04-08 15:41:33Z antanas 
;
_cod_original_cell_volume        3486.23(4)
_cod_original_sg_symbol_Hall     ' 	I 4 2 3'
_cod_database_code               7237212
A novel approach for facilitating the targeted synthesis of silicoaluminophosphates
Yan, Nana; Wang, Lei; Liu, Xiaona; Wu, Pengfei; Sun, Tantan; Xu, Shutao; Han, Jingfeng; Guo, Peng; Tian, Peng; Liu, Zhongmin; Journal of Materials Chemistry A 6 (2018) 24186–; doi:10.1039/C8TA08134D

data_7237216
_publ_section_title
;
 A novel approach for facilitating the targeted synthesis of
 silicoaluminophosphates
;
_journal_issue                   47
_journal_name_full               'Journal of Materials Chemistry A'
_journal_page_first              24186
_journal_paper_doi               10.1039/C8TA08134D
_journal_volume                  6
_journal_year                    2018
_chemical_formula_moiety
'C5.07 H21.64 Al3.32 N2.90 O20.81 P1.77 Si2.92'
_chemical_formula_sum
'C5.07 H21.64 Al3.32 N2.9 O20.81 P1.77 Si2.92'
_chemical_formula_weight         682.46
_chemical_name_common            DNL-6-DMEDA
_space_group_IT_number           211
_space_group_name_Hall           'I 4 2 3'
_space_group_name_H-M_alt        'I 4 3 2'
_symmetry_cell_setting           cubic
_symmetry_Int_Tables_number      211
_symmetry_space_group_name_Hall  'I 4 2 3'
_symmetry_space_group_name_H-M   'I 4 3 2'
_audit_update_record
;
2018-06-04 deposited with the CCDC.
2018-10-25 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            6
_cell_length_a                   15.1935(2)
_cell_length_b                   15.1935(2)
_cell_length_c                   15.1935(2)
_cell_measurement_temperature    25
_cell_measurement_theta_max      60
_cell_measurement_theta_min      2.5
_cell_volume                     3507.30(8)
_computing_structure_refinement  TOPAS
_diffrn_ambient_temperature      25
_diffrn_measurement_device_type  STOE
_diffrn_radiation_probe          x-ray
_diffrn_radiation_source         'X-ray tube'
_diffrn_radiation_type           'Cu Ka1'
_diffrn_radiation_wavelength     1.5406
_exptl_absorpt_coefficient_mu    5.038
_exptl_crystal_colour            White
_exptl_crystal_density_diffrn    1.939
_pd_proc_ls_prof_R_factor        0.0280
_pd_proc_ls_prof_wR_expected     0.0159
_pd_proc_ls_prof_wR_factor       0.0424
_refine_ls_goodness_of_fit_all   2.667
_refine_ls_hydrogen_treatment    mixed
_refine_ls_number_parameters     61
_refine_ls_R_I_factor            0.0227
_cod_data_source_file            c8ta08134d2.cif
_cod_data_source_block           DNL_6_DMEDA
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_diffrn_radiation_probe' value 'X-ray' was changed to
'x-ray' in accordance with the
/home/saulius/struct/COD-crude-data/automatic-downloads/DataCite-retrospective/RSC/depositions/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 6909 2019-04-08 15:41:33Z antanas 
;
_cod_original_sg_symbol_Hall     ' 	I 4 2 3'
_cod_original_formula_sum
'C5.07 H21.64 Al3.32 N2.90 O20.81 P1.77 Si2.92'
_cod_database_code               7237216
A novel approach for facilitating the targeted synthesis of silicoaluminophosphates
Yan, Nana; Wang, Lei; Liu, Xiaona; Wu, Pengfei; Sun, Tantan; Xu, Shutao; Han, Jingfeng; Guo, Peng; Tian, Peng; Liu, Zhongmin; Journal of Materials Chemistry A 6 (2018) 24186–; doi:10.1039/C8TA08134D

data_7237220
_publ_section_title
;
 A novel approach for facilitating the targeted synthesis of
 silicoaluminophosphates
;
_journal_issue                   47
_journal_name_full               'Journal of Materials Chemistry A'
_journal_page_first              24186
_journal_paper_doi               10.1039/C8TA08134D
_journal_volume                  6
_journal_year                    2018
_chemical_formula_moiety
'C6.20 H16.40 Al3.70 N1.03 O18.20 P2.77 Si1.53'
_chemical_formula_sum            'C6.2 H16.4 Al3.7 N1.03 O18.2 P2.77 Si1.53'
_chemical_formula_weight         625.21
_chemical_name_common            DNL-6-EBA
_space_group_IT_number           211
_space_group_name_Hall           'I 4 2 3'
_space_group_name_H-M_alt        'I 4 3 2'
_symmetry_cell_setting           cubic
_symmetry_Int_Tables_number      211
_symmetry_space_group_name_Hall  'I 4 2 3'
_symmetry_space_group_name_H-M   'I 4 3 2'
_audit_update_record
;
2018-06-04 deposited with the CCDC.
2018-10-25 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            6
_cell_length_a                   15.15430(10)
_cell_length_b                   15.15430(10)
_cell_length_c                   15.15430(10)
_cell_measurement_temperature    25
_cell_measurement_theta_max      60
_cell_measurement_theta_min      2.5
_cell_volume                     3480.23(4)
_computing_structure_refinement  TOPAS
_diffrn_ambient_temperature      25
_diffrn_measurement_device_type  STOE
_diffrn_radiation_probe          x-ray
_diffrn_radiation_source         'X-ray tube'
_diffrn_radiation_type           'Cu Ka1'
_diffrn_radiation_wavelength     1.5406
_exptl_absorpt_coefficient_mu    5.016
_exptl_crystal_colour            White
_exptl_crystal_density_diffrn    1.790
_pd_proc_ls_prof_R_factor        0.0281
_pd_proc_ls_prof_wR_expected     0.0146
_pd_proc_ls_prof_wR_factor       0.0445
_refine_ls_goodness_of_fit_all   3.0377
_refine_ls_hydrogen_treatment    mixed
_refine_ls_number_parameters     58
_refine_ls_R_I_factor            0.0348
_cod_data_source_file            c8ta08134d2.cif
_cod_data_source_block           DNL_6_EBA
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_diffrn_radiation_probe' value 'X-ray' was changed to
'x-ray' in accordance with the
/home/saulius/struct/COD-crude-data/automatic-downloads/DataCite-retrospective/RSC/depositions/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 6909 2019-04-08 15:41:33Z antanas 
;
_cod_original_sg_symbol_Hall     ' 	I 4 2 3'
_cod_original_formula_sum
'C6.20 H16.40 Al3.70 N1.03 O18.20 P2.77 Si1.53'
_cod_database_code               7237220