LMucko/crystallography-open-database huggingface dataset:
?
Roszak Kinga; Katrusiak, Andrzej; To be published in PCCP  () –; doi:

data_3000135
_publ_section_title
;
 ?
;
_journal_name_full               'To be published in PCCP'
_chemical_formula_sum            'C20 H14'
_chemical_name_common            1,1'-binaphthyl
_chemical_name_systematic
;
1,1'-binaphthyl
;
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 105.11(2)
_cell_angle_gamma                90.00
_cell_length_a                   21.064(15)
_cell_length_b                   6.305(4)
_cell_length_c                   10.165(3)
_cell_measurement_pressure       100000
_cell_measurement_temperature    296(2)
_cell_volume                     1303.3(13)
_diffrn_ambient_temperature      296(2)
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_refine_ls_goodness_of_fit_ref   1.109
_refine_ls_R_factor_all          0.0939
_refine_ls_R_factor_gt           0.0684
_refine_ls_wR_factor_gt          0.1010
_refine_ls_wR_factor_ref         0.1645
_cod_database_code               3000135
_cod_hold_until_date             2018-03-30
?
Roszak Kinga; Katrusiak, Andrzej; To be published in PCCP  () –; doi:

data_3000136
_publ_section_title
;
 ?
;
_journal_name_full               'To be published in PCCP'
_chemical_formula_sum            'C20 H14'
_chemical_name_common            1,1'-binaphthyl
_chemical_name_systematic
;
1,1'-binaphthyl
;
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 105.08(3)
_cell_angle_gamma                90.00
_cell_length_a                   20.922(17)
_cell_length_b                   6.238(4)
_cell_length_c                   10.090(4)
_cell_measurement_pressure       300000
_cell_measurement_temperature    296(2)
_cell_volume                     1271.5(14)
_diffrn_ambient_temperature      296(2)
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_refine_ls_goodness_of_fit_ref   1.139
_refine_ls_R_factor_all          0.1119
_refine_ls_R_factor_gt           0.0617
_refine_ls_wR_factor_gt          0.1503
_refine_ls_wR_factor_ref         0.1654
_cod_database_code               3000136
_cod_hold_until_date             2018-03-30
?
Roszak Kinga; Katrusiak, Andrzej; To be published in PCCP  () –; doi:

data_3000137
_publ_section_title
;
 ?
;
_journal_name_full               'To be published in PCCP'
_chemical_formula_sum            'C20 H14'
_chemical_name_common            1,1'-binaphthyl
_chemical_name_systematic
;
1,1'-binaphthyl
;
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 105.14(4)
_cell_angle_gamma                90.00
_cell_length_a                   20.89(1)
_cell_length_b                   6.204(5)
_cell_length_c                   10.011(5)
_cell_measurement_pressure       450000
_cell_measurement_temperature    296(2)
_cell_volume                     1252.4(14)
_diffrn_ambient_temperature      296(2)
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_refine_ls_goodness_of_fit_ref   1.152
_refine_ls_R_factor_all          0.1174
_refine_ls_R_factor_gt           0.0702
_refine_ls_wR_factor_gt          0.1115
_refine_ls_wR_factor_ref         0.1462
_cod_database_code               3000137
_cod_hold_until_date             2018-03-30
?
Roszak Kinga; Katrusiak, Andrzej; To be published in PCCP  () –; doi:

data_3000138
_publ_section_title
;
 ?
;
_journal_name_full               'To be published in PCCP'
_chemical_formula_sum            'C20 H14'
_chemical_name_common            1,1'-binaphthyl
_chemical_name_systematic
;
1,1'-binaphthyl
;
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 105.22(1)
_cell_angle_gamma                90.00
_cell_length_a                   20.809(16)
_cell_length_b                   6.185(2)
_cell_length_c                   10.044(4)
_cell_measurement_pressure       550000
_cell_measurement_temperature    296(2)
_cell_volume                     1247.4(12)
_diffrn_ambient_temperature      296(2)
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_refine_ls_goodness_of_fit_ref   1.071
_refine_ls_R_factor_all          0.1963
_refine_ls_R_factor_gt           0.0665
_refine_ls_wR_factor_gt          0.1411
_refine_ls_wR_factor_ref         0.2129
_cod_database_code               3000138
_cod_hold_until_date             2018-03-30
?
Roszak Kinga; Katrusiak, Andrzej; To be published in PCCP  () –; doi:

data_3000139
_publ_section_title
;
 ?
;
_journal_name_full               'To be published in PCCP'
_chemical_formula_sum            'C20 H14'
_chemical_name_common            1,1'-binaphthyl
_chemical_name_systematic
;
1,1'-binaphthyl
;
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 105.30(2)
_cell_angle_gamma                90.00
_cell_length_a                   20.770(5)
_cell_length_b                   6.1526(14)
_cell_length_c                   9.991(1)
_cell_measurement_pressure       700000
_cell_measurement_temperature    296(2)
_cell_volume                     1231.5(4)
_diffrn_ambient_temperature      296(2)
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_refine_ls_goodness_of_fit_ref   1.052
_refine_ls_R_factor_all          0.0986
_refine_ls_R_factor_gt           0.0889
_refine_ls_wR_factor_gt          0.1195
_refine_ls_wR_factor_ref         0.1863
_cod_database_code               3000139
_cod_hold_until_date             2018-03-30
?
Roszak Kinga; Katrusiak, Andrzej; To be published in PCCP  () –; doi:

data_3000140
_publ_section_title
;
 ?
;
_journal_name_full               'To be published in PCCP'
_chemical_formula_sum            'C20 H14'
_chemical_name_common            1,1'-binaphthyl
_chemical_name_systematic
;
1,1'-binaphthyl
;
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 105.24(2)
_cell_angle_gamma                90.00
_cell_length_a                   20.584(13)
_cell_length_b                   6.058(4)
_cell_length_c                   9.874(5)
_cell_measurement_pressure       1160000
_cell_measurement_temperature    296(2)
_cell_volume                     1188.0(12)
_diffrn_ambient_temperature      296(2)
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_refine_ls_goodness_of_fit_ref   1.124
_refine_ls_R_factor_all          0.1814
_refine_ls_R_factor_gt           0.1158
_refine_ls_wR_factor_gt          0.2127
_refine_ls_wR_factor_ref         0.2202
_cod_database_code               3000140
_cod_hold_until_date             2018-03-30
?
Roszak Kinga; Katrusiak, Andrzej; To be published in PCCP  () –; doi:

data_3000141
_publ_section_title
;
 ?
;
_journal_name_full               'To be published in PCCP'
_chemical_formula_sum            'C20 H14'
_chemical_name_common            1,1'-binaphthyl
_chemical_name_systematic
;
1,1'-binaphthyl
;
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 105.34(4)
_cell_angle_gamma                90.00
_cell_length_a                   20.575(10)
_cell_length_b                   6.0390(9)
_cell_length_c                   9.8506(15)
_cell_measurement_pressure       1290000
_cell_measurement_temperature    296(2)
_cell_volume                     1180.4(7)
_diffrn_ambient_temperature      296(2)
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_refine_ls_goodness_of_fit_ref   1.082
_refine_ls_R_factor_all          0.1078
_refine_ls_R_factor_gt           0.0710
_refine_ls_wR_factor_gt          0.1696
_refine_ls_wR_factor_ref         0.1841
_cod_database_code               3000141
_cod_hold_until_date             2018-03-30
?
Roszak Kinga; Katrusiak, Andrzej; To be published in PCCP  () –; doi:

data_3000142
_publ_section_title
;
 ?
;
_journal_name_full               'To be published in PCCP'
_chemical_formula_sum            'C20 H14'
_chemical_name_common            1,1'-binaphthyl
_chemical_name_systematic
;
1,1'-binaphthyl
;
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 105.49(3)
_cell_angle_gamma                90.00
_cell_length_a                   20.41(2)
_cell_length_b                   5.934(3)
_cell_length_c                   9.683(3)
_cell_measurement_pressure       2210000
_cell_measurement_temperature    296(2)
_cell_volume                     1130.1(13)
_diffrn_ambient_temperature      296(2)
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_refine_ls_goodness_of_fit_ref   1.068
_refine_ls_R_factor_all          0.1157
_refine_ls_R_factor_gt           0.0943
_refine_ls_wR_factor_gt          0.1290
_refine_ls_wR_factor_ref         0.1326
_cod_database_code               3000142
_cod_hold_until_date             2018-03-30
?
Roszak Kinga; Katrusiak, Andrzej; To be published in PCCP  () –; doi:

data_3000143
_publ_section_title
;
 ?
;
_journal_name_full               'To be published in PCCP'
_chemical_formula_sum            'C20 H14'
_chemical_name_common            1,1'-binaphthyl
_chemical_name_systematic
;
1,1'-binaphthyl
;
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 105.50(2)
_cell_angle_gamma                90.00
_cell_length_a                   20.32(1)
_cell_length_b                   5.888(2)
_cell_length_c                   9.592(7)
_cell_measurement_pressure       2970000
_cell_measurement_temperature    296(2)
_cell_volume                     1105.9(10)
_diffrn_ambient_temperature      296(2)
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_refine_ls_goodness_of_fit_ref   1.152
_refine_ls_R_factor_all          0.1416
_refine_ls_R_factor_gt           0.0857
_refine_ls_wR_factor_gt          0.1899
_refine_ls_wR_factor_ref         0.2088
_cod_database_code               3000143
_cod_hold_until_date             2018-03-30
?
Roszak Kinga; Katrusiak, Andrzej; To be published in PCCP  () –; doi:

data_3000144
_publ_section_title
;
 ?
;
_journal_name_full               'To be published in PCCP'
_chemical_formula_sum            'C20 H14'
_chemical_name_common            1,1'-binaphthyl
_chemical_name_systematic
;
1,1'-binaphthyl
;
_symmetry_space_group_name_Hall  'P 4abw 2nw'
_symmetry_space_group_name_H-M   'P 41 21 2'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_length_a                   7.0872(3)
_cell_length_b                   7.0872(3)
_cell_length_c                   27.477(3)
_cell_measurement_temperature    100(2)
_cell_volume                     1380.13(17)
_diffrn_ambient_temperature      100(2)
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_refine_ls_goodness_of_fit_ref   1.005
_refine_ls_R_factor_all          0.0781
_refine_ls_R_factor_gt           0.0696
_refine_ls_wR_factor_gt          0.0925
_refine_ls_wR_factor_ref         0.1121
_cod_database_code               3000144
_cod_hold_until_date             2018-03-30
?
Roszak Kinga; Katrusiak, Andrzej; To be published in PCCP  () –; doi:

data_3000145
_publ_section_title
;
 ?
;
_journal_name_full               'To be published in PCCP'
_chemical_formula_sum            'C20 H14'
_chemical_name_common            1,1'-binaphthyl
_chemical_name_systematic
;
1,1'-binaphthyl
;
_symmetry_space_group_name_Hall  'P 4abw 2nw'
_symmetry_space_group_name_H-M   'P 41 21 2'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_length_a                   7.1071(2)
_cell_length_b                   7.1071(2)
_cell_length_c                   27.466(2)
_cell_measurement_temperature    150(2)
_cell_volume                     1387.33(12)
_diffrn_ambient_temperature      150(2)
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_refine_ls_goodness_of_fit_ref   1.025
_refine_ls_R_factor_all          0.0951
_refine_ls_R_factor_gt           0.0724
_refine_ls_wR_factor_gt          0.0958
_refine_ls_wR_factor_ref         0.1191
_cod_database_code               3000145
_cod_hold_until_date             2018-03-30
?
Roszak Kinga; Katrusiak, Andrzej; To be published in PCCP  () –; doi:

data_3000146
_publ_section_title
;
 ?
;
_journal_name_full               'To be published in PCCP'
_chemical_formula_sum            'C20 H14'
_chemical_name_common            1,1'-binaphthyl
_chemical_name_systematic
;
1,1'-binaphthyl
;
_symmetry_space_group_name_Hall  'P 4abw 2nw'
_symmetry_space_group_name_H-M   'P 41 21 2'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_length_a                   7.1316(2)
_cell_length_b                   7.1316(2)
_cell_length_c                   27.467(2)
_cell_measurement_temperature    200(2)
_cell_volume                     1396.96(12)
_diffrn_ambient_temperature      200(2)
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_refine_ls_goodness_of_fit_ref   1.020
_refine_ls_R_factor_all          0.1192
_refine_ls_R_factor_gt           0.0765
_refine_ls_wR_factor_gt          0.1027
_refine_ls_wR_factor_ref         0.1301
_cod_database_code               3000146
_cod_hold_until_date             2018-03-30
?
Roszak Kinga; Katrusiak, Andrzej; To be published in PCCP  () –; doi:

data_3000147
_publ_section_title
;
 ?
;
_journal_name_full               'To be published in PCCP'
_chemical_formula_sum            'C20 H14'
_chemical_name_common            1,1'-binaphthyl
_chemical_name_systematic
;
1,1'-binaphthyl
;
_symmetry_space_group_name_Hall  'P 4abw 2nw'
_symmetry_space_group_name_H-M   'P 41 21 2'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_length_a                   7.1562(4)
_cell_length_b                   7.1562(4)
_cell_length_c                   27.473(2)
_cell_measurement_temperature    250(2)
_cell_volume                     1406.93(15)
_diffrn_ambient_temperature      250(2)
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_refine_ls_goodness_of_fit_ref   1.001
_refine_ls_R_factor_all          0.0976
_refine_ls_R_factor_gt           0.0761
_refine_ls_wR_factor_gt          0.1365
_refine_ls_wR_factor_ref         0.1749
_cod_database_code               3000147
_cod_hold_until_date             2018-03-30
?
Roszak Kinga; Katrusiak, Andrzej; To be published in PCCP  () –; doi:

data_3000148
_publ_section_title
;
 ?
;
_journal_name_full               'To be published in PCCP'
_chemical_formula_sum            'C20 H14'
_chemical_name_common            1,1'-binaphthyl
_chemical_name_systematic
;
1,1'-binaphthyl
;
_symmetry_space_group_name_Hall  'P 4abw 2nw'
_symmetry_space_group_name_H-M   'P 41 21 2'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_length_a                   7.2063(2)
_cell_length_b                   7.2063(2)
_cell_length_c                   27.5057(14)
_cell_measurement_temperature    296(2)
_cell_volume                     1428.39(9)
_diffrn_ambient_temperature      296(2)
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_refine_ls_goodness_of_fit_ref   1.045
_refine_ls_R_factor_all          0.0969
_refine_ls_R_factor_gt           0.0513
_refine_ls_wR_factor_gt          0.0850
_refine_ls_wR_factor_ref         0.0960
_cod_database_code               3000148
_cod_hold_until_date             2018-03-30
?
Roszak Kinga; Katrusiak, Andrzej; To be published in PCCP  () –; doi:

data_3000149
_publ_section_title
;
 ?
;
_journal_name_full               'To be published in PCCP'
_chemical_formula_sum            'C20 H14'
_chemical_name_common            1,1'-binaphthyl
_chemical_name_systematic
;
1,1'-binaphthyl
;
_symmetry_space_group_name_Hall  'P 4abw 2nw'
_symmetry_space_group_name_H-M   'P 41 21 2'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_length_a                   6.8496(4)
_cell_length_b                   6.8496(4)
_cell_length_c                   26.691(3)
_cell_measurement_pressure       1530000
_cell_measurement_temperature    296(2)
_cell_volume                     1252.26(17)
_diffrn_ambient_temperature      296(2)
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_refine_ls_goodness_of_fit_ref   1.053
_refine_ls_R_factor_all          0.1200
_refine_ls_R_factor_gt           0.1095
_refine_ls_wR_factor_gt          0.1673
_refine_ls_wR_factor_ref         0.1692
_cod_database_code               3000149
_cod_hold_until_date             2018-03-30
?
Roszak Kinga; Katrusiak, Andrzej; To be published in PCCP  () –; doi:

data_3000150
_publ_section_title
;
 ?
;
_journal_name_full               'To be published in PCCP'
_chemical_formula_sum            'C20 H14'
_chemical_name_common            1,1'-binaphthyl
_chemical_name_systematic
;
1,1'-binaphthyl
;
_symmetry_space_group_name_Hall  'P 4abw 2nw'
_symmetry_space_group_name_H-M   'P 41 21 2'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_length_a                   6.7514(15)
_cell_length_b                   6.7514(15)
_cell_length_c                   26.507(10)
_cell_measurement_pressure       2730000
_cell_measurement_temperature    296(2)
_cell_volume                     1208.2(6)
_diffrn_ambient_temperature      296(2)
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_refine_ls_goodness_of_fit_ref   1.146
_refine_ls_R_factor_all          0.1070
_refine_ls_R_factor_gt           0.0995
_refine_ls_wR_factor_gt          0.1387
_refine_ls_wR_factor_ref         0.1477
_cod_database_code               3000150
_cod_hold_until_date             2018-03-30
?
Roszak Kinga; Katrusiak, Andrzej; To be published in PCCP  () –; doi:

data_3000151
_publ_section_title
;
 ?
;
_journal_name_full               'To be published in PCCP'
_chemical_formula_sum            'C20 H14'
_chemical_name_common            1,1'-binaphthyl
_chemical_name_systematic
;
1,1'-binaphthyl
;
_symmetry_space_group_name_Hall  'P 4abw 2nw'
_symmetry_space_group_name_H-M   'P 41 21 2'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_length_a                   6.6809(5)
_cell_length_b                   6.6809(5)
_cell_length_c                   26.433(3)
_cell_measurement_pressure       2730000
_cell_measurement_temperature    296(2)
_cell_volume                     1179.82(18)
_diffrn_ambient_temperature      296(2)
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_refine_ls_goodness_of_fit_ref   1.123
_refine_ls_R_factor_all          0.1161
_refine_ls_R_factor_gt           0.1017
_refine_ls_wR_factor_gt          0.1461
_refine_ls_wR_factor_ref         0.1471
_cod_database_code               3000151
_cod_hold_until_date             2018-03-30
Katrusiak, A.; Tomkowiak, H.; To be published in CGD  () –; doi:

data_3000152
_journal_name_full               'To be published in CGD'
_chemical_formula_sum            'C H4 N2 S'
_chemical_name_common            thiourea
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_length_a                   7.6600(6)
_cell_length_b                   8.5443(6)
_cell_length_c                   5.4822(4)
_cell_measurement_temperature    296(2)
_cell_volume                     358.81(5)
_diffrn_ambient_temperature      296(2)
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_refine_ls_goodness_of_fit_ref   1.055
_refine_ls_R_factor_all          0.0432
_refine_ls_R_factor_gt           0.0382
_refine_ls_wR_factor_gt          0.1151
_refine_ls_wR_factor_ref         0.1216
_cod_database_code               3000152
_cod_hold_until_date             2018-03-30
Katrusiak, A.; Tomkowiak, H.; To be published in CGD  () –; doi:

data_3000153
_journal_name_full               'To be published in CGD'
_chemical_formula_sum            'C H4 N2 S'
_chemical_name_common            thiourea
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_length_a                   7.5791(9)
_cell_length_b                   8.533(8)
_cell_length_c                   5.4655(4)
_cell_measurement_temperature    296(2)
_cell_volume                     353.5(3)
_diffrn_ambient_temperature      296(2)
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_refine_ls_goodness_of_fit_ref   1.170
_refine_ls_R_factor_all          0.0731
_refine_ls_R_factor_gt           0.0638
_refine_ls_wR_factor_gt          0.1933
_refine_ls_wR_factor_ref         0.2095
_cod_database_code               3000153
_cod_hold_until_date             2018-03-30
Katrusiak, A.; Tomkowiak, H.; To be published in CGD  () –; doi:

data_3000154
_journal_name_full               'To be published in CGD'
_chemical_formula_sum            'C H4 N2 S'
_chemical_name_common            thiourea
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_length_a                   7.4881(9)
_cell_length_b                   8.530(8)
_cell_length_c                   5.4464(5)
_cell_measurement_temperature    296(2)
_cell_volume                     347.9(3)
_diffrn_ambient_temperature      296(2)
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_refine_ls_goodness_of_fit_ref   1.191
_refine_ls_R_factor_all          0.0549
_refine_ls_R_factor_gt           0.0449
_refine_ls_wR_factor_gt          0.1213
_refine_ls_wR_factor_ref         0.1485
_cod_database_code               3000154
_cod_hold_until_date             2018-03-30
Katrusiak, A.; Tomkowiak, H.; To be published in CGD  () –; doi:

data_3000155
_journal_name_full               'To be published in CGD'
_chemical_formula_sum            'C H4 N2 S'
_chemical_name_common            thiourea
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_length_a                   7.3515(8)
_cell_length_b                   24.96(2)
_cell_length_c                   5.5518(4)
_cell_measurement_temperature    296(2)
_cell_volume                     1018.7(8)
_diffrn_ambient_temperature      296(2)
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_refine_ls_goodness_of_fit_ref   1.127
_refine_ls_R_factor_all          0.0712
_refine_ls_R_factor_gt           0.0571
_refine_ls_wR_factor_gt          0.1555
_refine_ls_wR_factor_ref         0.1708
_cod_database_code               3000155
_cod_hold_until_date             2018-03-30