LMucko/crystallography-open-database huggingface dataset:
Aliovalent anion substitution as a design concept for heteroanionic Ruddlesden–Popper hydrides
Zapp, Nicolas; Oehler, Florian; Bertmer, Marko; Auer, Henry; Sheptyakov, Denis; Ritter, Clemens; Kohlmann, Holger; Chemical Communications  (2022) –; doi:10.1039/D2CC04356D

data_7130952
_publ_section_title
;
 Aliovalent anion substitution as a design concept for heteroanionic
 Ruddlesden--Popper hydrides
;
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/D2CC04356D
_journal_year                    2022
_chemical_formula_sum            'D4.92 La4 Li2 N3.08'
_chemical_formula_weight         622.56
_space_group_IT_number           139
_space_group_name_Hall           '-I 4 2'
_space_group_name_H-M_alt        'I 4/m m m'
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_H-M   'I 4/m m m'
_audit_update_record
;
2021-06-03 deposited with the CCDC.	2022-10-21 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   3.69312(6)
_cell_length_b                   3.69312(6)
_cell_length_c                   13.41285(25)
_cell_measurement_temperature    295
_cell_volume                     182.940(5)
_computing_structure_refinement
'GSAS-II (Toby & Von Dreele, J. Appl. Cryst. 46, 544-549, 2013)'
_diffrn_ambient_temperature      295
_diffrn_measurement_device_type
;
   'D20'
;
_diffrn_radiation_type           neutron
_diffrn_radiation_wavelength     1.865
_diffrn_source                   'nuclear reactor'
_exptl_crystal_density_diffrn    5.651
_pd_meas_2theta_range_inc        0.05000
_pd_meas_2theta_range_max        148.2000
_pd_meas_2theta_range_min        0.0000
_pd_meas_number_of_points        3200
_pd_proc_2theta_range_inc        0.05
_pd_proc_2theta_range_max        148.2
_pd_proc_2theta_range_min        10.00
_pd_proc_ls_prof_R_factor        0.0484
_pd_proc_ls_prof_wR_expected     0.0311
_pd_proc_ls_prof_wR_factor       0.0584
_pd_spec_mounting                'vanadium container'
_pd_spec_shape                   cylinder
_refine_ls_goodness_of_fit_all   1.89
_refine_ls_R_Fsqd_factor         0.0368
_refine_ls_shift/su_max          0.02
_cod_data_source_file            d2cc04356d2.cif
_cod_data_source_block           1
_cod_original_cell_volume        182.940(7)
_cod_original_formula_sum        ' D4.92 La4 Li2 N3.08 '
_cod_database_code               7130952
Aliovalent anion substitution as a design concept for heteroanionic Ruddlesden–Popper hydrides
Zapp, Nicolas; Oehler, Florian; Bertmer, Marko; Auer, Henry; Sheptyakov, Denis; Ritter, Clemens; Kohlmann, Holger; Chemical Communications  (2022) –; doi:10.1039/D2CC04356D

data_7130953
_publ_section_title
;
 Aliovalent anion substitution as a design concept for heteroanionic
 Ruddlesden--Popper hydrides
;
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/D2CC04356D
_journal_year                    2022
_chemical_formula_sum            'H3.13 La4 Li2 N1.68 O2.32'
_chemical_formula_weight         633.33
_space_group_IT_number           139
_space_group_name_Hall           '-I 4 2'
_space_group_name_H-M_alt        'I 4/m m m'
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_Hall  '-I 4 2'
_symmetry_space_group_name_H-M   'I 4/m m m'
_audit_update_record
;
2022-02-15 deposited with the CCDC.	2022-10-21 downloaded from the CCDC.
;
_cell_angle_alpha                90.0000
_cell_angle_beta                 90.0000
_cell_angle_gamma                90.0000
_cell_formula_units_Z            1
_cell_length_a                   3.65740(6)
_cell_length_b                   3.65740(6)
_cell_length_c                   13.3679(4)
_cell_measurement_temperature    295
_cell_volume                     178.817(7)
_computing_structure_refinement  FullProf
_diffrn_ambient_temperature      295
_diffrn_measurement_device_type
;
   'HRPT'
;
_diffrn_radiation_type           neutron
_diffrn_radiation_wavelength     1.494
_diffrn_source                   'spallation source'
_exptl_crystal_density_diffrn    5.881
_pd_meas_2theta_range_inc        0.05000
_pd_meas_2theta_range_max        164.80000
_pd_meas_2theta_range_min        3.85000
_pd_meas_number_of_points        3220
_pd_proc_2theta_range_inc        0.05
_pd_proc_2theta_range_max        164.8
_pd_proc_2theta_range_min        3.85
_pd_proc_ls_prof_R_factor        0.0249
_pd_proc_ls_prof_wR_expected     0.0148
_pd_proc_ls_prof_wR_factor       0.0308
_pd_spec_mounting                'vanadium container'
_pd_spec_shape                   cylinder
_refine_ls_goodness_of_fit_all   2.08
_refine_ls_R_I_factor            0.1052
_refine_ls_shift/su_max          0.05
_cod_data_source_file            d2cc04356d2.cif
_cod_data_source_block           1_CCDC1
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_symmetry_cell_setting' value 'Tetragonal' was changed to
'tetragonal' 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 7556 2019-12-06 15:28:31Z antanas 
;
_cod_original_cell_volume        178.816(6)
_cod_database_code               7130953
Aliovalent anion substitution as a design concept for heteroanionic Ruddlesden–Popper hydrides
Zapp, Nicolas; Oehler, Florian; Bertmer, Marko; Auer, Henry; Sheptyakov, Denis; Ritter, Clemens; Kohlmann, Holger; Chemical Communications  (2022) –; doi:10.1039/D2CC04356D

data_7130954
_publ_section_title
;
 Aliovalent anion substitution as a design concept for heteroanionic
 Ruddlesden--Popper hydrides
;
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/D2CC04356D
_journal_year                    2022
_chemical_formula_sum            'D3.8 La4 Li2 N1.69 O2.31'
_chemical_formula_weight         637.78
_space_group_IT_number           139
_space_group_name_Hall           '-I 4 2'
_space_group_name_H-M_alt        'I 4/m m m'
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_Hall  '-I 4 2'
_symmetry_space_group_name_H-M   'I 4/m m m'
_audit_update_record
;
2022-02-15 deposited with the CCDC.	2022-10-21 downloaded from the CCDC.
;
_cell_angle_alpha                90.0000
_cell_angle_beta                 90.0000
_cell_angle_gamma                90.0000
_cell_formula_units_Z            1
_cell_length_a                   3.65603(4)
_cell_length_b                   3.65603(4)
_cell_length_c                   13.3557(2)
_cell_measurement_temperature    295
_cell_volume                     178.520(4)
_computing_structure_refinement  FullProf
_diffrn_ambient_temperature      295
_diffrn_measurement_device_type
;
   'HRPT'
;
_diffrn_radiation_type           neutron
_diffrn_radiation_wavelength     1.494
_diffrn_source                   'spallation source'
_exptl_crystal_density_diffrn    5.932
_pd_meas_2theta_range_inc        0.05000
_pd_meas_2theta_range_max        164.80000
_pd_meas_2theta_range_min        3.85000
_pd_meas_number_of_points        3220
_pd_proc_2theta_range_inc        0.05
_pd_proc_2theta_range_max        164.8
_pd_proc_2theta_range_min        3.85
_pd_proc_ls_prof_R_factor        0.0311
_pd_proc_ls_prof_wR_expected     0.0227
_pd_proc_ls_prof_wR_factor       0.0400
_pd_spec_mounting                'vanadium container'
_pd_spec_shape                   cylinder
_refine_ls_goodness_of_fit_all   1.76
_refine_ls_R_I_factor            0.0313
_refine_ls_shift/su_max          0.05
_cod_data_source_file            d2cc04356d2.cif
_cod_data_source_block           1_CCDC2
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_symmetry_cell_setting' value 'Tetragonal' was changed to
'tetragonal' 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 7556 2019-12-06 15:28:31Z antanas 
;
_cod_original_formula_sum        'D3.80 La4 Li2 N1.69 O2.31'
_cod_database_code               7130954
Crystal Structure of Thallium Tridecafluorotetraantimonate(III) TlSb4F13
Udovenko, A. A.; Russian Journal of Coordination Chemistry 29 (2003) 310–311; doi:10.1023/A:1023615515989

data_1567934
_publ_section_title
;
 Crystal Structure of Thallium Tridecafluorotetraantimonate(III) TlSb4F13
;
_journal_issue                   5
_journal_name_full               'Russian Journal of Coordination Chemistry'
_journal_page_first              310
_journal_page_last               311
_journal_paper_doi               10.1023/A:1023615515989
_journal_volume                  29
_journal_year                    2003
_chemical_formula_moiety         'Tl Sb4 F13'
_chemical_formula_sum            'F13 Sb4 Tl'
_chemical_name_systematic
;
Thallium tridecafluorotetraantimonate(III) 
;
_space_group_crystal_system      tetragonal
_space_group_IT_number           82
_space_group_name_Hall           'I -4'
_space_group_name_H-M_alt        'I -4'
_symmetry_Int_Tables_number      82
_symmetry_space_group_name_H-M   'I -4'
_audit_creation_method           'manually at INEOS RAS'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   9.634(2)
_cell_length_b                   9.634(2)
_cell_length_c                   6.590(2)
_cell_volume                     611.6(3)
_diffrn_ambient_temperature      295
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_exptl_crystal_density_diffrn    5.094
_exptl_crystal_F_000             804
_refine_ls_R_factor_gt           0.032
_cod_data_source_file            R43old.cif
_cod_data_source_block           compound_R43old
_cod_original_cell_volume        611.7(2)
_cod_original_formula_sum        'Tl Sb4 F13'
_cod_database_code               1567934
Rh2O3(II)-type structures in Ga2O3 and In2O3 under high pressure: Experiment and theory :In2O3 at 8.1 GPa
Yusa, H.; Tsuchiya, T.; Sata, N.; Ohishi, Y.; Physical Review B 77 (2008) 064107–064107; doi:10.1103/PhysRevB.77.064107

data_1567940
_publ_section_title
;
 Rh2O3(II)-type structures in Ga2O3 and In2O3 under high pressure:
 Experiment and theory :In2O3 at 8.1 GPa
;
_journal_name_full               'Physical Review B'
_journal_page_first              064107
_journal_page_last               064107
_journal_paper_doi               10.1103/PhysRevB.77.064107
_journal_volume                  77
_journal_year                    2008
_chemical_formula_sum            'In2 O3'
_chemical_name_common            'In2O3 at 8.1 GPa with Rh2O3 II structure'
_chemical_name_mineral           'In2O3 at 8.1 GPa'
_space_group_IT_number           60
_space_group_name_Hall           '-P 2ac 2b'
_space_group_name_H-M_alt        'P b n a'
_cell_angle_alpha                90.000000
_cell_angle_beta                 90.000000
_cell_angle_gamma                90.000000
_cell_formula_units_Z            4
_cell_length_a                   5.432
_cell_length_b                   5.539
_cell_length_c                   7.875
_cell_volume                     236.942
_diffrn_ambient_pressure         8100000
_diffrn_ambient_temperature      298
_cod_data_source_file            In2O3-Rh2O3-II-8.1GPa.cif
_cod_data_source_block           In2O3-hp-phase
_cod_original_cell_volume        159.484530
_cod_database_code               1567940
Rh2O3(II)-type structures in Ga2O3 and In2O3 under high pressure: Experiment and theory :Ga2O3 at 52 GPa
Yusa, H.; Tsuchiya, T.; Sata, N.; Ohishi, Y.; Physical Review B 77 (2008) 064107–064107; doi:10.1103/PhysRevB.77.064107

data_1567941
_publ_section_title
;
 Rh2O3(II)-type structures in Ga2O3 and In2O3 under high pressure:
 Experiment and theory :Ga2O3 at 52 GPa
;
_journal_name_full               'Physical Review B'
_journal_page_first              064107
_journal_page_last               064107
_journal_paper_doi               10.1103/PhysRevB.77.064107
_journal_volume                  77
_journal_year                    2008
_chemical_formula_sum            'Ga2 O3'
_chemical_name_common            'Ga2O3 at 52 GPa with Rh2O3 II structure'
_chemical_name_mineral           'Ga2O3 at 52 GPa'
_space_group_IT_number           60
_space_group_name_Hall           '-P 2ac 2b'
_space_group_name_H-M_alt        'P b n a'
_cell_angle_alpha                90.000000
_cell_angle_beta                 90.000000
_cell_angle_gamma                90.000000
_cell_formula_units_Z            4
_cell_length_a                   4.732(1)
_cell_length_b                   4.855(1)
_cell_length_c                   6.942(2)
_cell_volume                     159.48(7)
_diffrn_ambient_pressure         52000000
_diffrn_ambient_temperature      298
_cod_data_source_file            Ga2O3-Rh2O3-II-52GPa.cif
_cod_data_source_block           Ga2O3-hp-phase
_cod_original_cell_volume        159.484530
_cod_database_code               1567941
?
Toms Rekis; To be published  () –; doi:

data_3000423
_publ_section_title
;
 ?
;
_journal_name_full               'To be published'
_chemical_formula_sum            'C36 H76 Mg O7'
_chemical_name_common            'magnesium stearate trihydrate'
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 94.6908
_cell_angle_gamma                90
_cell_length_a                   53.1859
_cell_length_b                   8.219
_cell_length_c                   8.891
_cell_measurement_temperature    100
_cell_volume                     3873.549
_diffrn_ambient_temperature      100
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           synchrotron
_diffrn_radiation_wavelength     0.7872
_refine_ls_goodness_of_fit_gt    2.17
_refine_ls_goodness_of_fit_ref   1.30
_refine_ls_R_factor_all          0.2529
_refine_ls_R_factor_gt           0.0768
_refine_ls_wR_factor_gt          0.0884
_refine_ls_wR_factor_ref         0.1110
_cod_database_code               3000423
_cod_hold_until_date             2023-01-15
Spin-crossover in the Fe(4X-pyridine)2[Fe(CN)5NO] series with X = Cl, Br, and I. Role of the distortion for the iron atom coordination environment
Avila, Y.; Mojica, R.; Vázquez, M. C.; Sánchez, L.; González, M.; Rodríguez-Hernández, J.; Reguera, E.; New Journal of Chemistry 47 (2023) 238–249; doi:10.1039/D2NJ05141A

data_7062083
_publ_section_title
;
 Spin-crossover in the Fe(4X-pyridine)2[Fe(CN)5NO] series with X = Cl, Br,
 and I. Role of the distortion for the iron atom coordination environment
;
_journal_issue                   1
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              238
_journal_page_last               249
_journal_paper_doi               10.1039/D2NJ05141A
_journal_volume                  47
_journal_year                    2023
_chemical_formula_structural     Fe(C5NBr)2[Fe(CN)5NO]
_chemical_formula_sum            'C15 Br2 Fe2 N8 O'
_chemical_name_systematic
' iron bromopyridine pentacyanonitrosilferrates (II)'
_space_group_IT_number           4
_space_group_name_Hall           'P 2yb'
_space_group_name_H-M_alt        'P 1 21 1'
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  'P 2yb'
_symmetry_space_group_name_H-M   'P 1 21 1'
_audit_update_record
;
2022-10-12 deposited with the CCDC.	2022-11-21 downloaded from the CCDC.
;
_cell_angle_alpha                90.0000
_cell_angle_beta                 110.81(5)
_cell_angle_gamma                90.0000
_cell_formula_units_Z            2
_cell_length_a                   7.3553(4)
_cell_length_b                   14.8367(6)
_cell_length_c                   10.3066(5)
_cell_measurement_temperature    300
_cell_volume                     1051.4(4)
_cod_data_source_file            d2nj05141a2.cif
_cod_data_source_block           Fe(4BrPy)2[Fe(CN)5NO]
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_symmetry_cell_setting' value 'Monoclinic' was changed to
'monoclinic' 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 7556 2019-12-06 15:28:31Z antanas 

 Adding full bibliography for 7062083--7062085.cif.
;
_cod_original_cell_volume        1051.4(2)
_cod_original_sg_symbol_H-M      'P 21'
_cod_original_formula_sum        'Fe2 Br2 C15 N8 O1'
_cod_database_code               7062083
Spin-crossover in the Fe(4X-pyridine)2[Fe(CN)5NO] series with X = Cl, Br, and I. Role of the distortion for the iron atom coordination environment
Avila, Y.; Mojica, R.; Vázquez, M. C.; Sánchez, L.; González, M.; Rodríguez-Hernández, J.; Reguera, E.; New Journal of Chemistry 47 (2023) 238–249; doi:10.1039/D2NJ05141A

data_7062084
_publ_section_title
;
 Spin-crossover in the Fe(4X-pyridine)2[Fe(CN)5NO] series with X = Cl, Br,
 and I. Role of the distortion for the iron atom coordination environment
;
_journal_issue                   1
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              238
_journal_page_last               249
_journal_paper_doi               10.1039/D2NJ05141A
_journal_volume                  47
_journal_year                    2023
_chemical_formula_structural     Fe(C5ClN)2[Fe(CN)5NO]
_chemical_formula_sum            'C15 Cl2 Fe2 N8 O'
_chemical_name_systematic
' iron cloropyridine pentacyanonitrosilferrates (II)'
_space_group_IT_number           4
_space_group_name_Hall           'P 2yb'
_space_group_name_H-M_alt        'P 1 21 1'
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  'P 2yb'
_symmetry_space_group_name_H-M   'P 1 21 1'
_audit_update_record
;
2022-10-12 deposited with the CCDC.	2022-11-21 downloaded from the CCDC.
;
_cell_angle_alpha                90.0000
_cell_angle_beta                 110.55(3)
_cell_angle_gamma                90.0000
_cell_formula_units_Z            2
_cell_length_a                   7.3377(5)
_cell_length_b                   14.8736(7)
_cell_length_c                   10.2039(5)
_cell_measurement_temperature    300
_cell_volume                     1042.8(2)
_cod_data_source_file            d2nj05141a2.cif
_cod_data_source_block           Fe(4ClPy)2[Fe(CN)5NO]
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_symmetry_cell_setting' value 'Monoclinic' was changed to
'monoclinic' 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 7556 2019-12-06 15:28:31Z antanas 

 Adding full bibliography for 7062083--7062085.cif.
;
_cod_original_cell_volume        1042.79(19)
_cod_original_sg_symbol_H-M      'P 21'
_cod_original_formula_sum        'Fe2 Cl2 C15 N8 O1'
_cod_database_code               7062084
Spin-crossover in the Fe(4X-pyridine)2[Fe(CN)5NO] series with X = Cl, Br, and I. Role of the distortion for the iron atom coordination environment
Avila, Y.; Mojica, R.; Vázquez, M. C.; Sánchez, L.; González, M.; Rodríguez-Hernández, J.; Reguera, E.; New Journal of Chemistry 47 (2023) 238–249; doi:10.1039/D2NJ05141A

data_7062085
_publ_section_title
;
 Spin-crossover in the Fe(4X-pyridine)2[Fe(CN)5NO] series with X = Cl, Br,
 and I. Role of the distortion for the iron atom coordination environment
;
_journal_issue                   1
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              238
_journal_page_last               249
_journal_paper_doi               10.1039/D2NJ05141A
_journal_volume                  47
_journal_year                    2023
_chemical_formula_structural     Fe(C5NI)2[Fe(CN)5NO]
_chemical_formula_sum            'C15 Fe2 I2 N8 O'
_chemical_name_systematic
' iron 4-iodopyridine pentacyanonitrosilferrates (II)'
_space_group_IT_number           4
_space_group_name_Hall           'P 2yb'
_space_group_name_H-M_alt        'P 1 21 1'
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  'P 2yb'
_symmetry_space_group_name_H-M   'P 1 21 1'
_audit_update_record
;
2022-10-12 deposited with the CCDC.	2022-11-21 downloaded from the CCDC.
;
_cell_angle_alpha                90.0000
_cell_angle_beta                 110.40(5)
_cell_angle_gamma                90.0000
_cell_formula_units_Z            2
_cell_length_a                   7.3881(7)
_cell_length_b                   14.7798(6)
_cell_length_c                   10.5338(7)
_cell_measurement_temperature    300
_cell_volume                     1078.1(4)
_cod_data_source_file            d2nj05141a2.cif
_cod_data_source_block           Fe(4IPy)2[Fe(CN)5NO]
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_symmetry_cell_setting' value 'Monoclinic' was changed to
'monoclinic' 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 7556 2019-12-06 15:28:31Z antanas 

 Adding full bibliography for 7062083--7062085.cif.
;
_cod_original_cell_volume        1078.1(2)
_cod_original_sg_symbol_H-M      'P 21'
_cod_original_formula_sum        'Fe2 I2 C15 N8 O1'
_cod_database_code               7062085
Crystal structures of 5-bromo-1-arylpyrazoles and their halogen bonding features
Popa, Marcel Mirel; Shova, Sergiu; Dascalu, Mihaela; Caira, Mino R.; Dumitrascu, Florea; CrystEngComm 25 (2023) 86–94; doi:10.1039/D2CE01355J

data_7245902
_publ_section_title
;
 Crystal structures of 5-bromo-1-arylpyrazoles and their halogen bonding
 features
;
_journal_issue                   1
_journal_name_full               CrystEngComm
_journal_page_first              86
_journal_page_last               94
_journal_paper_doi               10.1039/D2CE01355J
_journal_volume                  25
_journal_year                    2023
_chemical_formula_sum            'Ag Cr2 H4 O10 Sc'
_chemical_name_systematic
;
Silver Scandium Bis(chromate) Dihydrate
;
_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_H-M   'P -1'
_audit_update_record
;
2018-02-27 deposited with the CCDC.	2022-11-23 downloaded from the CCDC.
;
_cell_angle_alpha                110.74
_cell_angle_beta                 90.21
_cell_angle_gamma                117.34
_cell_formula_units_Z            1
_cell_length_a                   5.586
_cell_length_b                   6.054
_cell_length_c                   7.432
_cell_volume                     204.564
_refine_ls_R_factor_all          0.0348
_cod_data_source_file            d2ce01355j2.cif
_cod_data_source_block           156676-ICSD
_cod_depositor_comments
'Adding full bibliography for 7245901--7245906.cif.'
_cod_original_cell_volume        204.56
_cod_original_formula_sum        'H4 Ag1 Cr2 O10 Sc1'
_cod_database_code               7245902