LMucko/crystallography-open-database huggingface dataset:
?
Jack Simonson; To be published in Physical Review Materials  () –; doi:

data_3000594
_publ_section_title
;
 ?
;
_journal_name_full               'To be published in Physical Review Materials'
_chemical_formula_sum            'Co In2'
_space_group_name_Hall           'F 2 -2d'
_space_group_name_H-M_alt        'F d d 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   5.2722(2)
_cell_length_b                   17.8025(9)
_cell_length_c                   9.3835(4)
_cell_measurement_temperature    198
_cell_volume                     880.72(7)
_diffrn_ambient_temperature      198
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Ag K\a'
_diffrn_radiation_wavelength     0.56087
_refine_ls_goodness_of_fit_gt    1.1725
_refine_ls_goodness_of_fit_ref   1.1221
_refine_ls_R_factor_all          0.0413
_refine_ls_R_factor_gt           0.0234
_refine_ls_wR_factor_gt          0.0467
_refine_ls_wR_factor_ref         0.0545
_cod_database_code               3000594
_cod_hold_until_date             2025-09-14
_cod_depositor_requested_release_date 2025-09-14
?
Jack Simonson; To be published in Physical Review Materials  () –; doi:

data_3000595
_publ_section_title
;
 ?
;
_journal_name_full               'To be published in Physical Review Materials'
_chemical_formula_sum            'Co In2'
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 117.788(11)
_cell_angle_gamma                90
_cell_length_a                   9.3721(11)
_cell_length_b                   5.2662(3)
_cell_length_c                   10.0425(9)
_cell_measurement_temperature    200(130)
_cell_volume                     438.49(8)
_diffrn_ambient_temperature      198
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Ag K\a'
_diffrn_radiation_wavelength     0.56087
_refine_ls_goodness_of_fit_gt    1.4797
_refine_ls_goodness_of_fit_ref   1.4517
_refine_ls_R_factor_all          0.0356
_refine_ls_R_factor_gt           0.0268
_refine_ls_wR_factor_gt          0.0618
_refine_ls_wR_factor_ref         0.0658
_cod_database_code               3000595
_cod_hold_until_date             2025-09-14
_cod_depositor_requested_release_date 2025-09-14
?
Jack Simonson; To be published in Physical Review Materials  () –; doi:

data_3000596
_publ_section_title
;
 ?
;
_journal_name_full               'To be published in Physical Review Materials'
_chemical_formula_sum            'Co In2'
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 117.808(9)
_cell_angle_gamma                90
_cell_length_a                   9.3668(8)
_cell_length_b                   5.2642(3)
_cell_length_c                   10.0345(8)
_cell_measurement_temperature    100
_cell_volume                     437.65(7)
_diffrn_ambient_temperature      100
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Ag K\a'
_diffrn_radiation_wavelength     0.56087
_refine_ls_goodness_of_fit_gt    1.5041
_refine_ls_goodness_of_fit_ref   1.4753
_refine_ls_R_factor_all          0.0356
_refine_ls_R_factor_gt           0.0285
_refine_ls_wR_factor_gt          0.0627
_refine_ls_wR_factor_ref         0.0661
_cod_database_code               3000596
_cod_hold_until_date             2025-09-14
_cod_depositor_requested_release_date 2025-09-14
Synthesis and X-ray structure analysis of cytotoxic 2-picolylamino-type Hf<sup>IV</sup>-bis-chelated complexes.
Zhao, Tiankun; Zhang, Qi; Zhao, Jialiu; Mei, Dongyu; Ma, Jing; Correia, Isabel; Yang, Zhongduo; Kim, Sa-Hyun; Huhn, Thomas; Dalton transactions (Cambridge, England : 2003) 54 (2025) 6674–6683; doi:10.1039/d4dt02859g

data_1574185
_publ_section_title
;
 Synthesis and X-ray structure analysis of cytotoxic 2-picolylamino-type
 Hf<sup>IV</sup>-bis-chelated complexes.
;
_journal_issue                   16
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              6674
_journal_page_last               6683
_journal_paper_doi               10.1039/d4dt02859g
_journal_volume                  54
_journal_year                    2025
_chemical_formula_sum            'C43 H52 Cl Hf N3 O6'
_chemical_formula_weight         920.810
_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_block_doi                 10.5517/ccdc.csd.cc2l7v4v
_audit_creation_date             2023-10-11
_audit_update_record
;
2024-10-12 deposited with the CCDC.	2025-03-18 downloaded from the CCDC.
;
_cell_angle_alpha                90.000
_cell_angle_beta                 113.719(3)
_cell_angle_gamma                90.000
_cell_formula_units_Z            4
_cell_length_a                   14.8827(4)
_cell_length_b                   21.1323(5)
_cell_length_c                   16.3445(4)
_cell_volume                     4706.2(2)
_refine_ls_R_factor_all          0.063
_cod_data_source_file            d4dt02859g2.cif
_cod_data_source_block           lllll
_cod_depositor_comments
'Adding full bibliography for 1574184--1574185.cif.'
_cod_original_sg_symbol_Hall     -P_2yn
_cod_database_code               1574185
_audit_creation_methodolex2      1.5
Conductivity enhancement mechanism and application of NiCo-MOF hollow sphere electrode materials in lithium-ion batteries
Yang, Tinghai; Xiao, Rengui; Lu, Fenglian; Ke, Xiang; Wang, Mengxia; Wang, Keliang; New Journal of Chemistry 49 (2025) 6674–6683; doi:10.1039/D5NJ00121H

data_7063722
_publ_section_title
;
 Conductivity enhancement mechanism and application of NiCo-MOF hollow
 sphere electrode materials in lithium-ion batteries
;
_journal_issue                   16
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              6674
_journal_page_last               6683
_journal_paper_doi               10.1039/D5NJ00121H
_journal_volume                  49
_journal_year                    2025
_chemical_formula_sum            'C45 H54 N6 Ni3 O24'
_space_group_IT_number           193
_space_group_name_Hall           '-P 6c 2'
_space_group_name_H-M_alt        'P 63/m c m'
_symmetry_cell_setting           hexagonal
_symmetry_Int_Tables_number      193
_symmetry_space_group_name_H-M   'P 63/m c m'
_audit_creation_date             2007-10-17
_audit_creation_method           CSD-ConQuest-V1
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            2
_cell_length_a                   16.609(2)
_cell_length_b                   16.609(2)
_cell_length_c                   14.325(3)
_cell_volume                     3422.3(9)
_cod_data_source_file            d5nj00121h1.cif
_cod_data_source_block           CSD_CIF_ADOLUB
_cod_depositor_comments          'Adding full bibliography for 7063722.cif.'
_cod_database_code               7063722
Tuning intramolecular charge transfer and suppressing rotations in thianthrene derivatives for enhancement of room-temperature phosphorescence
Zeng, Huiwen; Li, Hualiu; Zhen, Peng; Zhou, Jiadong; Xu, Bingjia; Shi, Guang; Zhang, Yujian; Chi, Zhenguo; Liu, Cong; Chemical Science 16 (2025) 9169–9177; doi:10.1039/D5SC01176K

data_1574423
_publ_section_title
;
 Tuning intramolecular charge transfer and suppressing rotations in
 thianthrene derivatives for enhancement of room-temperature
 phosphorescence
;
_journal_issue                   21
_journal_name_full               'Chemical Science'
_journal_page_first              9169
_journal_page_last               9177
_journal_paper_doi               10.1039/D5SC01176K
_journal_volume                  16
_journal_year                    2025
_chemical_formula_sum            'C12 H8 S2'
_chemical_formula_weight         216.300
_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_date             2024-08-27
_audit_creation_method
;
Olex2 1.5
(compiled 2023.08.24 svn.re1ec1418 for OlexSys, GUI svn.r6817)

;
_audit_update_record
;
2024-12-19 deposited with the CCDC.	2025-04-21 downloaded from the CCDC.
;
_cell_angle_alpha                90.000
_cell_angle_beta                 109.685(3)
_cell_angle_gamma                90.000
_cell_formula_units_Z            4
_cell_length_a                   11.8295(7)
_cell_length_b                   6.0362(3)
_cell_length_c                   14.3214(9)
_cell_volume                     962.86(10)
_refine_ls_R_factor_all          0.038
_cod_data_source_file            d5sc01176k6.cif
_cod_data_source_block           1
_cod_depositor_comments
'Adding full bibliography for 1574423--1574426.cif.'
_cod_original_cell_volume        962.9(1)
_cod_original_sg_symbol_Hall     -P_2ybc
_cod_database_code               1574423
Insights into structural ordering of LCFCr perovskites under reducing conditions
Pidburtnyi, Mykhailo; Calderon, Oliver; Aydogdu, Irfan; Trudel, Simon; Ponnurangam, Sathish; Paulson, Scott; Birss, Viola; To be published  () –; doi:

data_3000597
_publ_section_title
;
 Insights into structural ordering of LCFCr perovskites under reducing
 conditions
;
_journal_name_full               'To be published'
_chemical_formula_sum            'Ca2 Cr Fe2 La O7.5'
_chemical_name_systematic
;
Lanthanum dicalcium diiron monochromium octaoxide-red
;
_space_group_name_Hall           'P 2c -2'
_space_group_name_H-M_alt        'P m c 21'
_cell_angle_alpha                90.00000
_cell_angle_beta                 90.00000
_cell_angle_gamma                90.00000
_cell_length_a                   11.24904(51)
_cell_length_b                   5.56546(21)
_cell_length_c                   5.45965(18)
_cell_volume                     341.81(2)
_diffrn_ambient_temperature      295
_diffrn_radiation_probe          x-ray
_refine_ls_goodness_of_fit_all   1.4169
_cod_database_code               3000597
_cod_hold_until_date             2026-02-25
_cod_depositor_requested_release_date 2026-02-25
Insights into structural ordering of LCFCr perovskites under reducing conditions
Pidburtnyi, Mykhailo; Calderon, Oliver; Aydogdu, Irfan; Trudel, Simon; Ponnurangam, Sathish; Paulson, Scott; Birss, Viola; To be published  () –; doi:

data_3000598
_publ_section_title
;
 Insights into structural ordering of LCFCr perovskites under reducing
 conditions
;
_journal_name_full               'To be published'
_chemical_formula_sum            'Ca2 Cr Fe2 La O7.5'
_chemical_name_systematic
;
Lanthanum dicalcium diiron monochromium octaoxide-ox
;
_space_group_name_Hall           'P 2c -2'
_space_group_name_H-M_alt        'P m c 21'
_cell_angle_alpha                90.00000
_cell_angle_beta                 90.00000
_cell_angle_gamma                90.00000
_cell_length_a                   11.33673(65)
_cell_length_b                   5.51274(25)
_cell_length_c                   5.45531(23)
_cell_volume                     340.94(3)
_diffrn_ambient_temperature      295
_diffrn_radiation_probe          x-ray
_refine_ls_goodness_of_fit_all   1.2753
_cod_database_code               3000598
_cod_hold_until_date             2026-02-25
_cod_depositor_requested_release_date 2026-02-25
Fuyuki Ito; To be published in Chemical Communication  () –; doi:

data_3000599
_journal_name_full               'To be published in Chemical Communication'
_chemical_formula_sum            'C18 H17 B F2 O4'
_space_group_name_Hall           '-P 2ac 2n'
_space_group_name_H-M_alt        'P n m a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   7.9076(3)
_cell_length_b                   20.1972(9)
_cell_length_c                   10.4102(4)
_cell_measurement_temperature    200(2)
_cell_volume                     1662.63(12)
_diffrn_ambient_temperature      200(2)
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71075
_refine_ls_goodness_of_fit_ref   1.107
_refine_ls_R_factor_all          0.0523
_refine_ls_R_factor_gt           0.0458
_refine_ls_wR_factor_gt          0.1009
_refine_ls_wR_factor_ref         0.1050
_cod_database_code               3000599
_cod_hold_until_date             2025-11-19
_cod_depositor_requested_release_date 2025-11-19
Fuyuki Ito; To be published in Chemical Communication  () –; doi:

data_3000600
_journal_name_full               'To be published in Chemical Communication'
_chemical_formula_sum            'C18 H17 B F2 O4'
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_cell_angle_alpha                95.606(4)
_cell_angle_beta                 90.859(4)
_cell_angle_gamma                92.126(4)
_cell_length_a                   8.9188(4)
_cell_length_b                   10.5744(6)
_cell_length_c                   17.1101(9)
_cell_measurement_temperature    100(2)
_cell_volume                     1604.57(14)
_diffrn_ambient_temperature      100(2)
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           synchrotron
_diffrn_radiation_wavelength     0.812
_refine_ls_goodness_of_fit_ref   0.950
_refine_ls_R_factor_all          0.0826
_refine_ls_R_factor_gt           0.0694
_refine_ls_wR_factor_gt          0.1956
_refine_ls_wR_factor_ref         0.2120
_cod_database_code               3000600
_cod_hold_until_date             2025-11-19
_cod_depositor_requested_release_date 2025-11-19
Borah, Silpi S.; Das, Kaustav; Ichiyanagi, Kouhei; Reddy, C. Malla; Sasaki, Toshiyuki; Nath, Naba K.; To be published  () –; doi:

data_3000601
_journal_name_full               'To be published'
_chemical_formula_sum            'C17 H20 N2 O3'
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 93.401(7)
_cell_angle_gamma                90
_cell_length_a                   16.5761(15)
_cell_length_b                   10.5388(7)
_cell_length_c                   8.9139(5)
_cell_measurement_temperature    300(2)
_cell_volume                     1554.4(2)
_diffrn_ambient_temperature      300(2)
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           synchrotron
_diffrn_radiation_wavelength     0.81022
_refine_ls_goodness_of_fit_ref   1.056
_refine_ls_R_factor_all          0.0909
_refine_ls_R_factor_gt           0.0631
_refine_ls_wR_factor_gt          0.1662
_refine_ls_wR_factor_ref         0.1842
_cod_database_code               3000601
_cod_hold_until_date             2026-05-31
_cod_depositor_requested_release_date 2026-05-31
Borah, Silpi S.; Das, Kaustav; Ichiyanagi, Kouhei; Reddy, C. Malla; Sasaki, Toshiyuki; Nath, Naba K.; To be published  () –; doi:

data_3000602
_journal_name_full               'To be published'
_chemical_formula_sum            'C17 H20 N2 O3'
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 89.225(6)
_cell_angle_gamma                90
_cell_length_a                   18.1864(12)
_cell_length_b                   10.4493(4)
_cell_length_c                   8.9955(5)
_cell_measurement_temperature    352(2)
_cell_volume                     1709.30(16)
_diffrn_ambient_temperature      350(2)
_diffrn_radiation_type           synchrotron
_diffrn_radiation_wavelength     0.81022
_refine_ls_goodness_of_fit_ref   1.268
_refine_ls_R_factor_all          0.1906
_refine_ls_R_factor_gt           0.1267
_refine_ls_wR_factor_gt          0.3681
_cod_database_code               3000602
_cod_hold_until_date             2026-05-31
_cod_depositor_requested_release_date 2026-05-31
Rakovský, Erik; Kisszekelyi, Péter; Doblejová, Terézia; Šebesta, Radovan; To be published in Chemical Communications  () –; doi:

data_3000603
_journal_name_full               'To be published in Chemical Communications'
_chemical_formula_sum            'C24 H23 Cl N2 O3'
_chemical_name_systematic
'benzyl ((2S,4S)-2-(4-chlorophenyl)-6-methoxy-1,2,3,4-tetrahydroquinolin-4-yl)carbamate'
_space_group_name_Hall           'P 2yb'
_space_group_name_H-M_alt        'P 1 21 1'
_cell_angle_alpha                90
_cell_angle_beta                 95.493(4)
_cell_angle_gamma                90
_cell_length_a                   8.7549(4)
_cell_length_b                   4.8924(2)
_cell_length_c                   24.0363(11)
_cell_measurement_temperature    100
_cell_volume                     1024.81(8)
_diffrn_ambient_temperature      100
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.54186
_refine_ls_goodness_of_fit_ref   1.046
_refine_ls_R_factor_all          0.0362
_refine_ls_R_factor_gt           0.0354
_refine_ls_wR_factor_gt          0.0920
_refine_ls_wR_factor_ref         0.0938
_cod_database_code               3000603
_cod_hold_until_date             2025-12-01
_cod_depositor_requested_release_date 2025-12-01
Resistive switching in spray-pyrolyzed BaWO4 thin films
Amitkumar R. Patil, Tukaram D. Dongale, Lahu D.Namade, Keshav Y. Rajpure; Colloids and Surfaces A: Physicochemical and Engineering Aspects 723 (2025) 137352–; doi:10.1016/j.colsurfa.2025.137352

data_1574782
_publ_author_name
'Amitkumar R. Patil, Tukaram D. Dongale, Lahu D.Namade, Keshav Y. Rajpure'
_publ_section_title
;
 Resistive switching in spray-pyrolyzed BaWO4 thin films
;
_journal_name_full
'Colloids and Surfaces A: Physicochemical and Engineering Aspects'
_journal_page_first              137352
_journal_paper_doi               10.1016/j.colsurfa.2025.137352
_journal_volume                  723
_journal_year                    2025
_chemical_formula_structural     BaWO4
_chemical_formula_sum            'Ba O4 W'
_chemical_formula_weight         385.16
_chemical_name_common            '   Crystal structures of Ba-molybdate '
_space_group_IT_number           88
_space_group_name_Hall           '-I 4ad'
_space_group_name_H-M_alt        'I 41/a :2'
_cell_angle_alpha                90.000000
_cell_angle_beta                 90.000000
_cell_angle_gamma                90.000000
_cell_formula_units_Z            2
_cell_length_a                   5.618210
_cell_length_b                   5.618210
_cell_length_c                   12.72820(16)
_cell_volume                     401.757(5)
_exptl_crystal_density_diffrn    6.368
_cod_data_source_file            BaWO4.cif
_cod_data_source_block
/var/www/html/cod/tmp/uploads/1748926686.5323-98C9596094087535.cif
_cod_original_cell_volume        401.756490
_cod_original_sg_symbol_H-M      'I 41/a'
_cod_database_code               1574782
The search for superionic solid-state electrolytes using a physics-informed generative model.
Nguyen, Tri Minh; Tawfik, Sherif Abdulkader; Tran, Truyen; Gupta, Sunil; Rana, Santu; Venkatesh, Svetha; Materials horizons 12 (2025) 6945–6955; doi:10.1039/d5mh00767d

data_1574820
_publ_section_title
;
 The search for superionic solid-state electrolytes using a
 physics-informed generative model.
;
_journal_issue                   17
_journal_name_full               'Materials horizons'
_journal_page_first              6945
_journal_page_last               6955
_journal_paper_doi               10.1039/d5mh00767d
_journal_volume                  12
_journal_year                    2025
_chemical_formula_structural     KI
_chemical_formula_sum            'I8 K8'
_space_group_IT_number           1
_space_group_name_Hall           'P 1'
_space_group_name_H-M_alt        'P 1'
_symmetry_Int_Tables_number      1
_symmetry_space_group_name_H-M   'P 1'
_audit_update_record
;
2025-04-08 deposited with the CCDC.	2025-06-06 downloaded from the CCDC.
;
_cell_angle_alpha                90.00185800
_cell_angle_beta                 90.00001833
_cell_angle_gamma                90.00001967
_cell_formula_units_Z            8
_cell_length_a                   11.81505482
_cell_length_b                   12.23692562
_cell_length_c                   7.10002691
_cell_volume                     1026.522
_cod_data_source_file            d5mh00767d3.cif
_cod_data_source_block           KI
_cod_depositor_comments
'Adding full bibliography for 1574820--1574854.cif.'
_cod_original_cell_volume        1026.52151485
_cod_original_formula_sum        'K8 I8'
_cod_database_code               1574820
The search for superionic solid-state electrolytes using a physics-informed generative model.
Nguyen, Tri Minh; Tawfik, Sherif Abdulkader; Tran, Truyen; Gupta, Sunil; Rana, Santu; Venkatesh, Svetha; Materials horizons 12 (2025) 6945–6955; doi:10.1039/d5mh00767d

data_1574821
_publ_section_title
;
 The search for superionic solid-state electrolytes using a
 physics-informed generative model.
;
_journal_issue                   17
_journal_name_full               'Materials horizons'
_journal_page_first              6945
_journal_page_last               6955
_journal_paper_doi               10.1039/d5mh00767d
_journal_volume                  12
_journal_year                    2025
_chemical_formula_structural     NaI
_chemical_formula_sum            'I4 Na4'
_space_group_IT_number           1
_space_group_name_Hall           'P 1'
_space_group_name_H-M_alt        'P 1'
_symmetry_Int_Tables_number      1
_symmetry_space_group_name_H-M   'P 1'
_audit_update_record
;
2025-04-08 deposited with the CCDC.	2025-06-06 downloaded from the CCDC.
;
_cell_angle_alpha                90.01395170
_cell_angle_beta                 90.00728913
_cell_angle_gamma                89.99939079
_cell_formula_units_Z            4
_cell_length_a                   7.08010283
_cell_length_b                   7.09791712
_cell_length_c                   7.29005300
_cell_volume                     366.354
_cod_data_source_file            d5mh00767d3.cif
_cod_data_source_block           NaI
_cod_depositor_comments
'Adding full bibliography for 1574820--1574854.cif.'
_cod_original_cell_volume        366.35418632
_cod_original_formula_sum        'Na4 I4'
_cod_database_code               1574821
The search for superionic solid-state electrolytes using a physics-informed generative model.
Nguyen, Tri Minh; Tawfik, Sherif Abdulkader; Tran, Truyen; Gupta, Sunil; Rana, Santu; Venkatesh, Svetha; Materials horizons 12 (2025) 6945–6955; doi:10.1039/d5mh00767d

data_1574822
_publ_section_title
;
 The search for superionic solid-state electrolytes using a
 physics-informed generative model.
;
_journal_issue                   17
_journal_name_full               'Materials horizons'
_journal_page_first              6945
_journal_page_last               6955
_journal_paper_doi               10.1039/d5mh00767d
_journal_volume                  12
_journal_year                    2025
_chemical_formula_structural     KBrCl4
_chemical_formula_sum            'Br2 Cl8 K2'
_space_group_IT_number           1
_space_group_name_Hall           'P 1'
_space_group_name_H-M_alt        'P 1'
_symmetry_Int_Tables_number      1
_symmetry_space_group_name_H-M   'P 1'
_audit_update_record
;
2025-04-08 deposited with the CCDC.	2025-06-06 downloaded from the CCDC.
;
_cell_angle_alpha                89.92658584
_cell_angle_beta                 92.10434289
_cell_angle_gamma                90.08537892
_cell_formula_units_Z            2
_cell_length_a                   5.52777127
_cell_length_b                   8.40563451
_cell_length_c                   9.50743605
_cell_volume                     441.459
_cod_data_source_file            d5mh00767d3.cif
_cod_data_source_block           KBrCl4
_cod_depositor_comments
'Adding full bibliography for 1574820--1574854.cif.'
_cod_original_cell_volume        441.45881058
_cod_original_formula_sum        'K2 Br2 Cl8'
_cod_database_code               1574822