LMucko/crystallography-open-database huggingface dataset:
Dwight D. Kim; Suk Joong Lee; Peter Beak; Journal of Organic Chemistry 70 (2005) 5376–5386; doi:10.1021/jo047752m

data_4020169
_journal_name_full               'Journal of Organic Chemistry'
_journal_page_first              5376
_journal_page_last               5386
_journal_paper_doi               10.1021/jo047752m
_journal_volume                  70
_journal_year                    2005
_chemical_absolute_configuration ad
_chemical_formula_moiety         'C40 H45 Br N2 O4 S'
_chemical_formula_sum            'C40 H45 Br N2 O4 S'
_chemical_formula_weight         729.75
_space_group_IT_number           19
_space_group_name_Hall           'P 2ac 2ab'
_space_group_name_H-M_alt        'P 21 21 21'
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'P 2ac 2ab'
_symmetry_space_group_name_H-M   'P 21 21 21'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   8.5839(16)
_cell_length_b                   14.514(3)
_cell_length_c                   30.157(6)
_cell_measurement_temperature    193(2)
_cell_volume                     3757.3(12)
_diffrn_ambient_temperature      193(2)
_exptl_crystal_density_diffrn    1.290
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Orthorhombic' changed to 'orthorhombic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_sg_symbol_Hall     'P 2ac 2ab '
_cod_database_code               4020169
Dwight D. Kim; Suk Joong Lee; Peter Beak; Journal of Organic Chemistry 70 (2005) 5376–5386; doi:10.1021/jo047752m

data_4020170
_journal_name_full               'Journal of Organic Chemistry'
_journal_page_first              5376
_journal_page_last               5386
_journal_paper_doi               10.1021/jo047752m
_journal_volume                  70
_journal_year                    2005
_chemical_absolute_configuration ad
_chemical_formula_moiety         'C26 H32 Br N O4'
_chemical_formula_sum            'C26 H32 Br N O4'
_chemical_formula_weight         502.44
_space_group_IT_number           19
_space_group_name_Hall           'P 2ac 2ab'
_space_group_name_H-M_alt        'P 21 21 21'
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'P 2ac 2ab'
_symmetry_space_group_name_H-M   'P 21 21 21'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   6.4190(11)
_cell_length_b                   17.531(3)
_cell_length_c                   22.374(4)
_cell_measurement_temperature    193(2)
_cell_volume                     2517.8(8)
_diffrn_ambient_temperature      193(2)
_exptl_crystal_density_diffrn    1.325
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Orthorhombic' changed to 'orthorhombic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_sg_symbol_Hall     'P 2ac 2ab '
_cod_database_code               4020170
Dwight D. Kim; Suk Joong Lee; Peter Beak; Journal of Organic Chemistry 70 (2005) 5376–5386; doi:10.1021/jo047752m

data_4020171
_journal_name_full               'Journal of Organic Chemistry'
_journal_page_first              5376
_journal_page_last               5386
_journal_paper_doi               10.1021/jo047752m
_journal_volume                  70
_journal_year                    2005
_chemical_absolute_configuration ad
_chemical_formula_moiety         'C14 H17 Br O2'
_chemical_formula_sum            'C14 H17 Br O2'
_chemical_formula_weight         297.19
_space_group_IT_number           19
_space_group_name_Hall           'P 2ac 2ab'
_space_group_name_H-M_alt        'P 21 21 21'
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'P 2ac 2ab'
_symmetry_space_group_name_H-M   'P 21 21 21'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   5.554(3)
_cell_length_b                   10.954(5)
_cell_length_c                   20.878(9)
_cell_measurement_temperature    193(2)
_cell_volume                     1270.2(10)
_diffrn_ambient_temperature      193(2)
_exptl_crystal_density_diffrn    1.554
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Orthorhombic' changed to 'orthorhombic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_sg_symbol_Hall     'P  2ac 2ab '
_cod_database_code               4020171
Dwight D. Kim; Suk Joong Lee; Peter Beak; Journal of Organic Chemistry 70 (2005) 5376–5386; doi:10.1021/jo047752m

data_4020172
_journal_name_full               'Journal of Organic Chemistry'
_journal_page_first              5376
_journal_page_last               5386
_journal_paper_doi               10.1021/jo047752m
_journal_volume                  70
_journal_year                    2005
_chemical_absolute_configuration ad
_chemical_formula_moiety         'C26 H32 Br N O3'
_chemical_formula_sum            'C26 H32 Br N O3'
_chemical_formula_weight         486.44
_space_group_IT_number           5
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  'C 2y'
_symmetry_space_group_name_H-M   'C 1 2 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 94.988(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   15.123(3)
_cell_length_b                   12.592(3)
_cell_length_c                   25.895(5)
_cell_measurement_temperature    193(2)
_cell_volume                     4912.4(17)
_diffrn_ambient_temperature      193(2)
_exptl_crystal_density_diffrn    1.315
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_sg_symbol_H-M      'C 2  '
_cod_database_code               4020172
Dwight D. Kim; Suk Joong Lee; Peter Beak; Journal of Organic Chemistry 70 (2005) 5376–5386; doi:10.1021/jo047752m

data_4020173
_journal_name_full               'Journal of Organic Chemistry'
_journal_page_first              5376
_journal_page_last               5386
_journal_paper_doi               10.1021/jo047752m
_journal_volume                  70
_journal_year                    2005
_chemical_formula_moiety         'C26 H32 Br N O4'
_chemical_formula_sum            'C26 H32 Br N O4'
_chemical_formula_weight         502.44
_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                 99.240(6)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   6.149(2)
_cell_length_b                   24.262(8)
_cell_length_c                   16.606(5)
_cell_measurement_temperature    193(2)
_cell_volume                     2445.3(13)
_diffrn_ambient_temperature      193(2)
_exptl_crystal_density_diffrn    1.365
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_sg_symbol_Hall     '-P 2yn '
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               4020173
Dwight D. Kim; Suk Joong Lee; Peter Beak; Journal of Organic Chemistry 70 (2005) 5376–5386; doi:10.1021/jo047752m

data_4020174
_journal_name_full               'Journal of Organic Chemistry'
_journal_page_first              5376
_journal_page_last               5386
_journal_paper_doi               10.1021/jo047752m
_journal_volume                  70
_journal_year                    2005
_chemical_absolute_configuration ad
_chemical_formula_moiety         'C15 H18 Br N O3'
_chemical_formula_sum            'C15 H18 Br N O3'
_chemical_formula_weight         340.21
_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                 100.643(7)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   7.623(3)
_cell_length_b                   6.294(3)
_cell_length_c                   15.896(6)
_cell_measurement_temperature    193(2)
_cell_volume                     749.6(5)
_diffrn_ambient_temperature      193(2)
_exptl_crystal_density_diffrn    1.507
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_sg_symbol_Hall     'P 2yb '
_cod_original_sg_symbol_H-M      'P 21 '
_cod_database_code               4020174
Dwight D. Kim; Suk Joong Lee; Peter Beak; Journal of Organic Chemistry 70 (2005) 5376–5386; doi:10.1021/jo047752m

data_4020175
_journal_name_full               'Journal of Organic Chemistry'
_journal_page_first              5376
_journal_page_last               5386
_journal_paper_doi               10.1021/jo047752m
_journal_volume                  70
_journal_year                    2005
_chemical_absolute_configuration ad
_chemical_formula_moiety         'C30 H38 Br N O5'
_chemical_formula_sum            'C30 H38 Br N O5'
_chemical_formula_weight         572.52
_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                 94.881(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   12.374(7)
_cell_length_b                   6.317(4)
_cell_length_c                   18.860(11)
_cell_measurement_temperature    193(2)
_cell_volume                     1468.8(14)
_diffrn_ambient_temperature      193(2)
_exptl_crystal_density_diffrn    1.295
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_sg_symbol_Hall     'P 2yb '
_cod_original_sg_symbol_H-M      'P 21'
_cod_database_code               4020175
Silvestre Buscemi; Andrea Pace; Antonio Palumbo Piccionello; Gabriella Macaluso; Nicolò Vivona; Domenico Spinelli; Gianluca Giorgi; Journal of Organic Chemistry 70 (2005) 3288–3291; doi:10.1021/jo047766s

data_4020176
_journal_name_full               'Journal of Organic Chemistry'
_journal_page_first              3288
_journal_page_last               3291
_journal_paper_doi               10.1021/jo047766s
_journal_volume                  70
_journal_year                    2005
_chemical_formula_sum            'C17 H10 Br F3 N4 O2'
_chemical_formula_weight         439.20
_chemical_melting_point          214.5(5)
_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                 92.100(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   13.2510(10)
_cell_length_b                   17.850(2)
_cell_length_c                   7.3690(10)
_cell_measurement_temperature    293(2)
_cell_volume                     1741.8(3)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.675
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 

The following automatic conversions were performed:

'_chemical_melting_point' value '214-215' was changed to '214.5(5)' -
the average value was taken and precision was estimated.

Automatic conversion script
Id: cif_fix_values 1646 2011-03-28 12:23:43Z adriana 
;
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               4020176
Fu-Lu Zhao; Jin-Tao Liu; Journal of Organic Chemistry 70 (2005) 3801–3805; doi:10.1021/jo0477852

data_4020177
_journal_name_full               'Journal of Organic Chemistry'
_journal_page_first              3801
_journal_page_last               3805
_journal_paper_doi               10.1021/jo0477852
_journal_volume                  70
_journal_year                    2005
_chemical_formula_sum            'C13 H13 Cl2 F2 N O4'
_chemical_formula_weight         356.14
_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                109.281(3)
_cell_angle_beta                 97.029(3)
_cell_angle_gamma                107.275(3)
_cell_formula_units_Z            2
_cell_length_a                   7.9132(12)
_cell_length_b                   9.9342(16)
_cell_length_c                   10.9874(18)
_cell_measurement_temperature    293(2)
_cell_volume                     754.9(2)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.567
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_formula_sum        'C13 H13 N O4 F2 Cl2'
_cod_database_code               4020177
Arumugasamy Elangovan; Kuo-Ming Kao; Shu-Wen Yang; Yu-Ling Chen; Tong-Ing Ho; Yuhlong Oliver Su; Journal of Organic Chemistry 70 (2005) 4460–4469; doi:10.1021/jo0477953

data_4020178
_journal_name_full               'Journal of Organic Chemistry'
_journal_page_first              4460
_journal_page_last               4469
_journal_paper_doi               10.1021/jo0477953
_journal_volume                  70
_journal_year                    2005
_chemical_formula_sum            'C23 H18 N2'
_chemical_formula_weight         322.39
_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                81.7260(10)
_cell_angle_beta                 72.9830(10)
_cell_angle_gamma                71.805(2)
_cell_formula_units_Z            2
_cell_length_a                   9.2870(2)
_cell_length_b                   9.3930(2)
_cell_length_c                   10.7350(3)
_cell_measurement_temperature    295(2)
_cell_volume                     849.25(3)
_diffrn_ambient_temperature      295(2)
_exptl_crystal_density_diffrn    1.261
_refine_ls_R_factor_obs          0.0483
_refine_ls_wR_factor_obs         0.1278
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_database_code               4020178
Arumugasamy Elangovan; Kuo-Ming Kao; Shu-Wen Yang; Yu-Ling Chen; Tong-Ing Ho; Yuhlong Oliver Su; Journal of Organic Chemistry 70 (2005) 4460–4469; doi:10.1021/jo0477953

data_4020179
_journal_name_full               'Journal of Organic Chemistry'
_journal_page_first              4460
_journal_page_last               4469
_journal_paper_doi               10.1021/jo0477953
_journal_volume                  70
_journal_year                    2005
_chemical_formula_sum            'C24 H19 N'
_chemical_formula_weight         321.40
_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                72.871(2)
_cell_angle_beta                 80.4240(10)
_cell_angle_gamma                71.4130(10)
_cell_formula_units_Z            2
_cell_length_a                   9.2040(2)
_cell_length_b                   9.3250(2)
_cell_length_c                   11.0960(3)
_cell_measurement_temperature    295(2)
_cell_volume                     859.86(4)
_diffrn_ambient_temperature      295(2)
_exptl_crystal_density_diffrn    1.241
_refine_ls_R_factor_obs          0.0451
_refine_ls_wR_factor_obs         0.1232
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_database_code               4020179
Man-kit Leung; M. Balaji Viswanath; Pi-Tai Chou; Shih-Chieh Pu; Hsin-Chieh Lin; Bih-Yaw Jin; Journal of Organic Chemistry 70 (2005) 3560–3568; doi:10.1021/jo047802n

data_4020180
_journal_name_full               'Journal of Organic Chemistry'
_journal_page_first              3560
_journal_page_last               3568
_journal_paper_doi               10.1021/jo047802n
_journal_volume                  70
_journal_year                    2005
_chemical_formula_sum            'C28 H20'
_chemical_formula_weight         356.44
_space_group_IT_number           61
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2ac 2ab'
_symmetry_space_group_name_H-M   'P b c a'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   14.2335(3)
_cell_length_b                   7.2938(7)
_cell_length_c                   18.4191(9)
_cell_measurement_temperature    295(2)
_cell_volume                     1912.2(2)
_diffrn_ambient_temperature      295(2)
_exptl_crystal_density_diffrn    1.238
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Orthorhombic' changed to 'orthorhombic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_database_code               4020180
S. V. Lindeman; I. S. Neretin; M. G. Davlieva; J. K. Kochi; Journal of Organic Chemistry 70 (2005) 3263–3266; doi:10.1021/jo047847o

data_4020181
_journal_name_full               'Journal of Organic Chemistry'
_journal_page_first              3263
_journal_page_last               3266
_journal_paper_doi               10.1021/jo047847o
_journal_volume                  70
_journal_year                    2005
_chemical_formula_moiety         'C10 H13 O2, F6 Sb'
_chemical_formula_sum            'C10 H13 F6 O2 Sb'
_chemical_formula_weight         400.95
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                89.1320(10)
_cell_angle_beta                 81.7380(10)
_cell_angle_gamma                82.5820(10)
_cell_formula_units_Z            2
_cell_length_a                   5.4679(4)
_cell_length_b                   10.7485(8)
_cell_length_c                   11.6878(8)
_cell_measurement_temperature    123(2)
_cell_volume                     674.09(8)
_diffrn_ambient_temperature      123(2)
_exptl_crystal_density_diffrn    1.975
_cod_database_code               4020181
S. V. Lindeman; I. S. Neretin; M. G. Davlieva; J. K. Kochi; Journal of Organic Chemistry 70 (2005) 3263–3266; doi:10.1021/jo047847o

data_4020182
_journal_name_full               'Journal of Organic Chemistry'
_journal_page_first              3263
_journal_page_last               3266
_journal_paper_doi               10.1021/jo047847o
_journal_volume                  70
_journal_year                    2005
_chemical_formula_moiety         'C8 H9 O2, F6 Sb'
_chemical_formula_sum            'C8 H9 F6 O2 Sb'
_chemical_formula_weight         372.90
_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                 106.1640(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   11.9578(8)
_cell_length_b                   8.3099(6)
_cell_length_c                   12.3250(8)
_cell_measurement_temperature    123(2)
_cell_volume                     1176.30(14)
_diffrn_ambient_temperature      123(2)
_exptl_crystal_density_diffrn    2.106
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               4020182
S. V. Lindeman; I. S. Neretin; M. G. Davlieva; J. K. Kochi; Journal of Organic Chemistry 70 (2005) 3263–3266; doi:10.1021/jo047847o

data_4020183
_journal_name_full               'Journal of Organic Chemistry'
_journal_page_first              3263
_journal_page_last               3266
_journal_paper_doi               10.1021/jo047847o
_journal_volume                  70
_journal_year                    2005
_chemical_formula_moiety         'C6 H13 O2, F6 Sb'
_chemical_formula_sum            'C6 H13 F6 O2 Sb'
_chemical_formula_weight         352.91
_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                 105.330(4)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   23.943(2)
_cell_length_b                   8.1333(7)
_cell_length_c                   12.6599(11)
_cell_measurement_temperature    123(2)
_cell_volume                     2377.6(4)
_diffrn_ambient_temperature      123(2)
_exptl_crystal_density_diffrn    1.972
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               4020183