LMucko/crystallography-open-database huggingface dataset:
Crystal structure of dichlorodimethyl[N-(2-pyridylmethylene)-2-toluidine] tin, C15H18Cl2N2Sn
Basu Baul, S.; Basu Baul, T. S.; Tiekink, E. R. T.; Zeitschrift für Kristallographie - New Crystal Structures 214 (1999) 211–212; doi:

data_8101501
_publ_section_title
;
Crystal structure of dichlorodimethyl[N-(2-pyridylmethylene)-2-toluidine]
tin, C15H18Cl2N2Sn
;
_journal_issue                   2
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              211
_journal_page_last               212
_journal_volume                  214
_journal_year                    1999
_chemical_formula_moiety         'C15 H18 Cl2 N2 Sn '
_chemical_formula_sum            'C15 H18 Cl2 N2 Sn'
_chemical_formula_weight         415.92
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 109.613(10)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   16.912(3)
_cell_length_b                   7.0266(7)
_cell_length_c                   15.441(2)
_cell_measurement_temperature    293
_cell_volume                     1728.5(4)
_diffrn_ambient_temperature      293
_exptl_crystal_density_diffrn    1.598
_refine_ls_R_factor_obs          0.0551
_refine_ls_wR_factor_obs         0.0596
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_original_formula_sum        'C15 H18 Cl2 N2 Sn '
_cod_database_code               8101501
Crystal structure of potassium sulfanilate sesquihydrate, KH2NC6H4SO3 · 1.5H2O
Schreuer, Jürgen; Zeitschrift für Kristallographie - New Crystal Structures 214 (1999) 287–288; doi:

data_8101502
_publ_section_title
;
Crystal structure of potassium sulfanilate sesquihydrate, KH2NC6H4SO3 
&#x00B7; 1.5H2O
;
_journal_issue                   2
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              287
_journal_page_last               288
_journal_volume                  214
_journal_year                    1999
_chemical_formula_structural     'K H2 N C6 H4 S O3 (H2 O)1.5'
_chemical_formula_sum            'C6 H9 K N O4.5 S'
_chemical_formula_weight         238.30
_chemical_name_common            'potassium sulfanilate 1.5 hydrate'
_space_group_IT_number           60
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2n 2ab'
_symmetry_space_group_name_H-M   'P b c n'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   23.001(5)
_cell_length_b                   7.763(2)
_cell_length_c                   10.424(2)
_cell_measurement_temperature    293(2)
_cell_volume                     1861.3(7)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.701
_refine_ls_R_factor_obs          0.0303
_refine_ls_wR_factor_obs         0.0776
_cod_original_formula_sum        'C6 H9 K N O4.50 S'
_cod_database_code               8101502
Crystal structure of rubidium sulfanilate sesquihydrate, RbH2NC6H4SO3 · 1.5H2O
Schreuer, Jürgen; Zeitschrift für Kristallographie - New Crystal Structures 214 (1999) 289–290; doi:

data_8101503
_publ_section_title
;
Crystal structure of rubidium sulfanilate sesquihydrate, RbH2NC6H4SO3 
&#x00B7; 1.5H2O
;
_journal_issue                   2
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              289
_journal_page_last               290
_journal_volume                  214
_journal_year                    1999
_chemical_formula_structural     'Rb H2 N C6 H4 S O3 (H2 O)1.5'
_chemical_formula_sum            'C6 H9 N O4.5 Rb S'
_chemical_formula_weight         284.67
_chemical_name_common            'rubidium sulfanilate sesquihydrate'
_space_group_IT_number           60
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2n 2ab'
_symmetry_space_group_name_H-M   'P b c n'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   23.271(5)
_cell_length_b                   7.844(2)
_cell_length_c                   10.635(2)
_cell_measurement_temperature    296(2)
_cell_volume                     1941.3(7)
_diffrn_ambient_temperature      296(2)
_exptl_crystal_density_diffrn    1.948
_refine_ls_R_factor_obs          0.0244
_refine_ls_wR_factor_obs         0.0496
_cod_original_formula_sum        'C6 H9 N O4.50 Rb S'
_cod_database_code               8101503
Crystal structure of lithium sulfanilate hydrate, LiH2NC6H4SO3 · H2O
Schreuer, Jürgen; Zeitschrift für Kristallographie - New Crystal Structures 214 (1999) 291–292; doi:

data_8101504
_publ_section_title
;
Crystal structure of lithium sulfanilate hydrate, LiH2NC6H4SO3 &#x00B7; 
H2O
;
_journal_issue                   2
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              291
_journal_page_last               292
_journal_volume                  214
_journal_year                    1999
_chemical_formula_structural     'Li H2 N C6 H4 S O3 * H2 O'
_chemical_formula_sum            'C6 H8 Li N O4 S'
_chemical_formula_weight         197.13
_chemical_name_common            'lithium sulfanilate hydrate'
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 94.06(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   5.3520(10)
_cell_length_b                   7.986(2)
_cell_length_c                   19.527(4)
_cell_measurement_temperature    293(2)
_cell_volume                     832.5(3)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.573
_refine_ls_R_factor_obs          0.0310
_refine_ls_wR_factor_obs         0.0801
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               8101504
Crystal structure of cesium sulfanilate hydrate, CsH2NC6H4SO3 · H2O
Schreuer, Jürgen; Zeitschrift für Kristallographie - New Crystal Structures 214 (1999) 293–294; doi:

data_8101505
_publ_section_title
;
Crystal structure of cesium sulfanilate hydrate, CsH2NC6H4SO3 &#x00B7; 
H2O
;
_journal_issue                   2
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              293
_journal_page_last               294
_journal_volume                  214
_journal_year                    1999
_chemical_formula_structural     'Cs H2 N C6 H4 S O3 (H2 O)'
_chemical_formula_sum            'C6 H8 Cs N O4 S'
_chemical_formula_weight         323.10
_chemical_name_common            'cesium sulfanilate hydrate'
_space_group_IT_number           4
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  'P 2yb'
_symmetry_space_group_name_H-M   'P 1 21 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 91.52(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   7.980(2)
_cell_length_b                   23.420(5)
_cell_length_c                   10.789(2)
_cell_measurement_temperature    293(2)
_cell_volume                     2015.7(8)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    2.129
_refine_ls_R_factor_obs          0.0278
_refine_ls_wR_factor_obs         0.0653
_cod_original_sg_symbol_H-M      'P 21'
_cod_database_code               8101505
Crystal structure of tricyclohexylaqua[3-pyridylacrylato]tin(IV), C26H41NO3Sn
Teoh, S. G.; Tan, D. S.; Yeap, G. Y.; Fun, H. K.; Zeitschrift für Kristallographie - New Crystal Structures 214 (1999) 161–162; doi:

data_8101506
_publ_section_title
;
Crystal structure of tricyclohexylaqua[3-pyridylacrylato]tin(IV), 
C26H41NO3Sn
;
_journal_issue                   2
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              161
_journal_page_last               162
_journal_volume                  214
_journal_year                    1999
_chemical_formula_sum            'C26 H41 N O3 Sn'
_chemical_formula_weight         534.29
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 91.6710(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   9.99650(10)
_cell_length_b                   14.3429(2)
_cell_length_c                   18.58170(10)
_cell_measurement_temperature    293(2)
_cell_volume                     2663.09(5)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.333
_refine_ls_R_factor_obs          0.0345
_refine_ls_wR_factor_obs         0.0897
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               8101506
Crystal structure of 3-bromo-1-[(2-methylphenylimino)methyl]phenol, C14H12BrNO
Yeap, Guan-Yeow; Sandro, Calogero; Teoh, Siang-Guan; Teo, Soon-Beng; Zeitschrift für Kristallographie - New Crystal Structures 214 (1999) 163–164; doi:

data_8101507
_publ_section_title
;
Crystal structure of 3-bromo-1-[(2-methylphenylimino)methyl]phenol, 
C14H12BrNO
;
_journal_issue                   2
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              163
_journal_page_last               164
_journal_volume                  214
_journal_year                    1999
_chemical_formula_sum            'C14 H12 Br N O'
_chemical_formula_weight         290.16
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 103.70(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   15.951(2)
_cell_length_b                   4.6070(10)
_cell_length_c                   17.294(2)
_cell_measurement_temperature    293(2)
_cell_volume                     1234.7(3)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.561
_refine_ls_R_factor_obs          0.0359
_refine_ls_wR_factor_obs         0.1044
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               8101507
Crystal structure of barium bismuth oxide, Ba2(Ba0.5Bi0.5Bi)O5.4
Dietze, Utta; Steins, Manfred; Lorenz, Michael; Bente, Klaus; Doering, Thomas; Zeitschrift für Kristallographie - New Crystal Structures 214 (1999) 153–153; doi:

data_8101508
_publ_section_title
;
Crystal structure of barium bismuth oxide, Ba2(Ba0.5Bi0.5Bi)O5.4
;
_journal_issue                   2
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              153
_journal_page_last               153
_journal_volume                  214
_journal_year                    1999
_chemical_formula_structural     'Ba2 (Ba0.5 Bi0.5 Bi) O5.4'
_chemical_formula_sum            'Ba1.25 Bi0.75 O2.7'
_chemical_formula_weight         371.61
_space_group_IT_number           139
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_Hall  '-I 4 2'
_symmetry_space_group_name_H-M   'I 4/m m m'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   6.2050(10)
_cell_length_b                   6.2050(10)
_cell_length_c                   8.733(2)
_cell_measurement_temperature    293(2)
_cell_volume                     336.24(11)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    7.341
_refine_ls_R_factor_obs          0.0480
_refine_ls_wR_factor_obs         0.1213
_cod_original_formula_sum        'Ba1.25 Bi0.75 O2.70'
_cod_database_code               8101508
Crystal structure of triholmium pentagallium dodecaoxide, Ho3Ga2(GaO4) 3 and of tridysprosium pentagallium dodecaoxide, Dy3Ga2(GaO4)3
Patzke, Greta; Wartchow, Rudolf; Binnewies, Michael; Zeitschrift für Kristallographie - New Crystal Structures 214 (1999) 143–144; doi:

data_8101509
_publ_section_title
;
Crystal structure of triholmium pentagallium dodecaoxide, Ho3Ga2(GaO4)
3 and of tridysprosium pentagallium dodecaoxide, Dy3Ga2(GaO4)3
;
_journal_issue                   2
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              143
_journal_page_last               144
_journal_volume                  214
_journal_year                    1999
_chemical_formula_structural     'Ho3 Ga2 (Ga O4)3'
_chemical_formula_sum            'Ga5 Ho3 O12'
_chemical_formula_weight         1035.39
_chemical_name_common            'holmium gallium garnet'
_space_group_IT_number           230
_symmetry_cell_setting           cubic
_symmetry_space_group_name_Hall  '-I 4bd 2c 3'
_symmetry_space_group_name_H-M   'I a -3 d'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   12.290(2)
_cell_length_b                   12.290(2)
_cell_length_c                   12.290(2)
_cell_measurement_temperature    300(2)
_cell_volume                     1856.3(5)
_diffrn_ambient_temperature      300(2)
_exptl_crystal_density_diffrn    7.409
_refine_ls_R_factor_obs          0.0184
_refine_ls_wR_factor_obs         0.0285
_cod_original_sg_symbol_H-M      'I a 3 d'
_cod_database_code               8101509
Crystal structure of triholmium pentagallium dodecaoxide, Ho3Ga2(GaO4)3 and of tridysprosium pentagallium dodecaoxide, Dy3Ga2(GaO4)3
Patzke, Greta; Wartchow, Rudolf; Binnewies, Michael; Zeitschrift für Kristallographie - New Crystal Structures 214 (1999) 143–144; doi:

data_8101510
_publ_section_title
;
Crystal structure of triholmium pentagallium dodecaoxide, Ho3Ga2(GaO4)3 and 
of tridysprosium pentagallium dodecaoxide, Dy3Ga2(GaO4)3
;
_journal_issue                   2
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              143
_journal_page_last               144
_journal_volume                  214
_journal_year                    1999
_chemical_formula_structural     'Dy3 Ga2 (Ga O4)3'
_chemical_formula_sum            'Dy3 Ga5 O12'
_chemical_formula_weight         1028.10
_chemical_name_common            'dysprosium gallium garnet'
_space_group_IT_number           230
_symmetry_cell_setting           cubic
_symmetry_space_group_name_Hall  '-I 4bd 2c 3'
_symmetry_space_group_name_H-M   'I a -3 d'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   12.306(1)
_cell_length_b                   12.306(1)
_cell_length_c                   12.306(1)
_cell_measurement_temperature    300(2)
_cell_volume                     1863.6(3)
_diffrn_ambient_temperature      300(2)
_exptl_crystal_density_diffrn    7.329
_refine_ls_R_factor_obs          0.0166
_refine_ls_wR_factor_obs         0.0259
_cod_original_sg_symbol_H-M      'I a 3 d'
_cod_database_code               8101510
Crystal structure of hexasodium trizinc tetraarsenate trihydrate, Na6Zn3(AsO4)4 · 3H2O
Gesing, Thorsten M.; Wartchow, Rudolf; Zeitschrift für Kristallographie - New Crystal Structures 214 (1999) 145–146; doi:

data_8101511
_publ_section_title
;
Crystal structure of hexasodium trizinc tetraarsenate trihydrate, 
Na6Zn3(AsO4)4 &#x00B7; 3H2O
;
_journal_issue                   2
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              145
_journal_page_last               146
_journal_volume                  214
_journal_year                    1999
_chemical_formula_moiety         'Na6 Zn3 (AsO4)4 (H2O)3'
_chemical_formula_structural     'Na24 Zn12 (AsO4)16 (H2O)12'
_chemical_formula_sum            'As4 H6 Na6 O19 Zn3'
_chemical_formula_weight         1001.79
_chemical_name_common            'sodium zincarsenate'
_space_group_IT_number           198
_symmetry_cell_setting           cubic
_symmetry_Int_Tables_number      198
_symmetry_space_group_name_Hall  'P 2ac 2ab 3'
_symmetry_space_group_name_H-M   'P 21 3'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   12.2450(10)
_cell_length_b                   12.2450(10)
_cell_length_c                   12.2450(10)
_cell_measurement_temperature    300(2)
_cell_volume                     1836.0(3)
_diffrn_ambient_temperature      300(2)
_exptl_crystal_density_diffrn    3.624
_refine_ls_R_factor_obs          0.0182
_refine_ls_wR_factor_obs         0.0361
_cod_database_code               8101511
Crystal structure of tin(II)dioxodecafluorostannate(IV), Sn~4~O~2~F~10~
Chang, Jen-Hui; Köhler, Jürgen; Zeitschrift für Kristallographie - New Crystal Structures 214 (1999) 147–148; doi:

data_8101512
_publ_section_title
;
Crystal structure of tin(II)dioxodecafluorostannate(IV), Sn~4~O~2~F~10~
;
_journal_issue                   2
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              147
_journal_page_last               148
_journal_volume                  214
_journal_year                    1999
_chemical_formula_sum            'F5 O Sn2'
_chemical_formula_weight         348.38
_chemical_name_common            Tin(II)dioxodecafluorostannate(IV)
_space_group_IT_number           12
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 116.52(5)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   9.160(5)
_cell_length_b                   6.643(4)
_cell_length_c                   8.339(6)
_cell_measurement_temperature    293(2)
_cell_volume                     454.0(5)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    5.097
_refine_ls_R_factor_obs          0.0203
_refine_ls_wR_factor_obs         0.0467
_cod_original_sg_symbol_H-M      'C 2/m'
_cod_database_code               8101512
Crystal structure of europium cobalt aluminide (1/2/9), EuCo2Al9
Thiede, Verena M. T.; Jeitschko, Wolfgang; Zeitschrift für Kristallographie - New Crystal Structures 214 (1999) 149–150; doi:

data_8101513
_publ_section_title
;
Crystal structure of europium cobalt aluminide (1/2/9), EuCo2Al9
;
_journal_issue                   2
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              149
_journal_page_last               150
_journal_volume                  214
_journal_year                    1999
_chemical_formula_structural     'Eu Co2 Al9'
_chemical_formula_sum            'Al9 Co2 Eu'
_chemical_formula_weight         512.64
_space_group_IT_number           191
_symmetry_cell_setting           hexagonal
_symmetry_space_group_name_Hall  '-P 6 2'
_symmetry_space_group_name_H-M   'P 6/m m m'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                120.00
_cell_formula_units_Z            1
_cell_length_a                   7.865(2)
_cell_length_b                   7.865(2)
_cell_length_c                   3.898(1)
_cell_measurement_temperature    293(2)
_cell_volume                     208.8(1)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    4.077
_refine_ls_R_factor_obs          0.0144
_refine_ls_wR_factor_obs         0.0351
_cod_database_code               8101513
Crystal structure of sodium iron aluminium tellurate, a new tellurium compound with garnet structure, Na3(Fe,Al)3Te2O12
Wedel, Boris; Sugiyama, Kazuma; Zeitschrift für Kristallographie - New Crystal Structures 214 (1999) 151–152; doi:

data_8101514
_publ_section_title
;
Crystal structure of sodium iron aluminium tellurate, a new tellurium 
compound with garnet structure, Na3(Fe,Al)3Te2O12
;
_journal_issue                   2
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              151
_journal_page_last               152
_journal_volume                  214
_journal_year                    1999
_chemical_formula_structural     'Na3 (Fe, Al)3 Te2 O12'
_chemical_formula_sum            'Al12 Fe12 Na24 O96 Te16'
_chemical_formula_weight         5152.19
_space_group_IT_number           230
_symmetry_cell_setting           cubic
_symmetry_space_group_name_Hall  '-I 4bd 2c 3'
_symmetry_space_group_name_H-M   'I a -3 d'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   12.391(2)
_cell_length_b                   12.391(2)
_cell_length_c                   12.391(2)
_cell_measurement_temperature    297(2)
_cell_volume                     1902.6(4)
_diffrn_ambient_temperature      297(2)
_exptl_crystal_density_diffrn    4.497
_refine_ls_R_factor_obs          0.0154
_refine_ls_wR_factor_obs         0.0421
_cod_database_code               8101514
Crystal structure of hydroxylammonium sulfanilate, (NH~3~OH)H~2~NC~6~H~4~SO~3~
Schreuer, Jürgen; Zeitschrift für Kristallographie - New Crystal Structures 214 (1999) 319–320; doi:

data_8101515
_publ_section_title
;
Crystal structure of hydroxylammonium sulfanilate, 
(NH~3~OH)H~2~NC~6~H~4~SO~3~
;
_journal_issue                   3
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              319
_journal_page_last               320
_journal_volume                  214
_journal_year                    1999
_chemical_formula_structural     '(N H3 OH) H2 N C6 H4 S O3 (H2 O)1.5'
_chemical_formula_sum            'C6 H10 N2 O4 S'
_chemical_formula_weight         206.22
_chemical_name_common            'hydroxylammonium sulfanilate'
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                88.46(3)
_cell_angle_beta                 68.71(3)
_cell_angle_gamma                81.99(3)
_cell_formula_units_Z            4
_cell_length_a                   8.597(2)
_cell_length_b                   10.033(2)
_cell_length_c                   10.914(2)
_cell_measurement_temperature    293(2)
_cell_volume                     868.3(3)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.578
_refine_ls_R_factor_obs          0.0281
_refine_ls_wR_factor_obs         0.0774
_cod_database_code               8101515