LMucko/crystallography-open-database huggingface dataset:
Crystal structure of catena-bis(dimethyl sulfoxide)bis(μ~2~- thiocyanato)-cadmium(II), C~6~H~12~CdN~2~O~2~S~4~
Wang, Xin Qiang; Yu, Wen Tao; Xu, Dong; Yuan, Duo Rong; Lu, Meng Kai; Tian, Yu Peng; Yang, Ping; Meng, Fan Qing; Guo, Shi Yi; Jiang, Min Hua; Zeitschrift für Kristallographie - New Crystal Structures 215 (2000) 91–92; doi:

data_8101167
_publ_section_title
;
Crystal structure of catena-bis(dimethyl sulfoxide)bis(\m~2~-
thiocyanato)-cadmium(II), C~6~H~12~CdN~2~O~2~S~4~
;
_journal_issue                   1
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              91
_journal_page_last               92
_journal_volume                  215
_journal_year                    2000
_chemical_formula_moiety         'C6 H12 Cd N2 O2 S4'
_chemical_formula_sum            'C6 H12 Cd N2 O2 S4'
_chemical_formula_weight         384.82
_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                114.533(5)
_cell_angle_beta                 100.912(11)
_cell_angle_gamma                95.448(10)
_cell_formula_units_Z            1
_cell_length_a                   5.9172(15)
_cell_length_b                   8.0811(12)
_cell_length_c                   8.1539(12)
_cell_measurement_temperature    293(2)
_cell_volume                     341.65(11)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.870
_refine_ls_R_factor_obs          0.0235
_refine_ls_wR_factor_obs         0.0624
_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               8101167
Crystal structure of tetrakis(tripropylammonium) decaselenidotetragermanate (IV), [C~9~H~21~NH]~4~[Ge~4~Se~10~]
Blachnik, Roger; Fehlker, Andreas; Zeitschrift für Kristallographie - New Crystal Structures 215 (2000) 95–97; doi:

data_8101168
_publ_section_title
;
Crystal structure of tetrakis(tripropylammonium) decaselenidotetragermanate
(IV), [C~9~H~21~NH]~4~[Ge~4~Se~10~]
;
_journal_issue                   1
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              95
_journal_page_last               97
_journal_volume                  215
_journal_year                    2000
_chemical_formula_moiety         '[C9 H21 N H]4+, [Ge4 Se10]-'
_chemical_formula_structural     '[C9 H21 N H]4 [Ge4 Se10]'
_chemical_formula_sum            'C36 H88 Ge4 N4 Se10'
_chemical_formula_weight         1657.06
_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                 108.52(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   18.759(4)
_cell_length_b                   16.104(3)
_cell_length_c                   21.211(4)
_cell_measurement_temperature    293(2)
_cell_volume                     6076(2)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.811
_refine_ls_R_factor_obs          0.0436
_refine_ls_wR_factor_obs         0.0809
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               8101168
Crystal structure of bis(μ-chloro)bis[N,O-1- isoquinolinecarboxylatodimethylformamidecopper(II)], C~26~H~26~Cl~2~Cu~2~N~4~O~6~
Pardo, Olivier; Tomas, Alain; Mazurier, Alain; Nguyen-Huy, Dung; Viossat, Bernard; Zeitschrift für Kristallographie - New Crystal Structures 215 (2000) 111–112; doi:

data_8101169
_publ_section_title
;
Crystal structure of bis(\m-chloro)bis[N,O-1-
isoquinolinecarboxylatodimethylformamidecopper(II)], 
C~26~H~26~Cl~2~Cu~2~N~4~O~6~
;
_journal_issue                   1
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              111
_journal_page_last               112
_journal_volume                  215
_journal_year                    2000
_chemical_formula_sum            'C26 H26 Cl2 Cu2 N4 O6'
_chemical_formula_weight         688.48
_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                90.51(2)
_cell_angle_beta                 105.72(2)
_cell_angle_gamma                112.44(2)
_cell_formula_units_Z            1
_cell_length_a                   7.659(7)
_cell_length_b                   9.178(8)
_cell_length_c                   11.230(4)
_cell_measurement_temperature    293(2)
_cell_volume                     696.7(9)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.641
_exptl_crystal_density_meas      1.70
_refine_ls_R_factor_obs          0.0658
_refine_ls_wR_factor_obs         0.1454
_cod_database_code               8101169
Crystal structure of toluene-4-sulfonic acid 4-(4'-cyano-phenylazo)- phenyl ester, C~20~H~15~N~3~O~3~S
Meents, A.; Barbier, B.; Euler, H.; Kirfel, A.; Schwierz, H.; Vögtle, F.; Zeitschrift für Kristallographie - New Crystal Structures 215 (2000) 115–116; doi:

data_8101170
_publ_section_title
;
Crystal structure of toluene-4-sulfonic acid 4-(4'-cyano-phenylazo)-
phenyl ester, C~20~H~15~N~3~O~3~S
;
_journal_issue                   1
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              115
_journal_page_last               116
_journal_volume                  215
_journal_year                    2000
_chemical_formula_sum            'C20 H15 N3 O3 S'
_chemical_formula_weight         377.41
_chemical_melting_point          417
_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                94.82(2)
_cell_angle_beta                 94.35(2)
_cell_angle_gamma                101.20(2)
_cell_formula_units_Z            2
_cell_length_a                   6.929(2)
_cell_length_b                   8.000(2)
_cell_length_c                   16.943(5)
_cell_measurement_temperature    293(2)
_cell_volume                     914.0(4)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.371
_refine_ls_R_factor_obs          0.0331
_refine_ls_wR_factor_obs         0.0655
_cod_database_code               8101170
Crystal structure of bis(salicylato)(1,10-phenanthroline) (dimethylformamide) cadmium(II), C~27~H~25~CdN~3~O~7~
Mazurier, Alain; Billy, Isabelle; Lemoine, Pascale; Viossat, Bernard; Tomas, Alain; Zeitschrift für Kristallographie - New Crystal Structures 215 (2000) 113–114; doi:

data_8101171
_publ_section_title
;
Crystal structure of bis(salicylato)(1,10-phenanthroline) (dimethylformamide)
cadmium(II), C~27~H~25~CdN~3~O~7~
;
_journal_issue                   1
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              113
_journal_page_last               114
_journal_volume                  215
_journal_year                    2000
_chemical_formula_sum            'C27 H25 Cd N3 O7'
_chemical_formula_weight         615.90
_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                106.58(1)
_cell_angle_beta                 100.77(1)
_cell_angle_gamma                100.79(1)
_cell_formula_units_Z            2
_cell_length_a                   8.743(1)
_cell_length_b                   10.139(1)
_cell_length_c                   16.218(1)
_cell_measurement_temperature    293(2)
_cell_volume                     1308.7(2)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.563
_exptl_crystal_density_meas      1.53
_refine_ls_R_factor_obs          0.0496
_refine_ls_wR_factor_obs         0.1366
_cod_database_code               8101171
Crystal structure of catena-poly-(μ-acetato)triphenyltin chloroform (2/1), Ph~3~Sn(O~2~CMe) · 0.5CHCl~3~
Smyth, D. R.; Tiekink, E. R. T.; Zeitschrift für Kristallographie - New Crystal Structures 215 (2000) 79–80; doi:

data_8101172
_publ_section_title
;
Crystal structure of catena-poly-(\m-acetato)triphenyltin chloroform 
(2/1), Ph~3~Sn(O~2~CMe) &#x00B7; 0.5CHCl~3~
;
_journal_issue                   1
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              79
_journal_page_last               80
_journal_volume                  215
_journal_year                    2000
_chemical_formula_moiety         'C41 H37 Cl3 O4 Sn2 '
_chemical_formula_sum            'C41 H37 Cl3 O4 Sn2'
_chemical_formula_weight         937.48
_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
_cell_angle_beta                 92.34(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   10.213(4)
_cell_length_b                   17.005(5)
_cell_length_c                   23.524(4)
_cell_measurement_temperature    293
_cell_volume                     4082(2)
_diffrn_ambient_temperature      293
_exptl_crystal_density_diffrn    1.525
_refine_ls_R_factor_obs          0.0510
_refine_ls_wR_factor_obs         0.0510
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_original_formula_sum        'C41 H37 Cl3 O4 Sn2 '
_cod_database_code               8101172
Crystal structure of catena-poly-(μ-dichloroacetato)triphenyltin, [Ph~3~Sn(O~2~CHCl~2~)]~n~
Smyth, D. R.; Tiekink, E. R. T.; Zeitschrift für Kristallographie - New Crystal Structures 215 (2000) 81–82; doi:

data_8101173
_publ_section_title
;
Crystal structure of catena-poly-(\m-dichloroacetato)triphenyltin, 
[Ph~3~Sn(O~2~CHCl~2~)]~n~
;
_journal_issue                   1
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              81
_journal_page_last               82
_journal_volume                  215
_journal_year                    2000
_chemical_formula_moiety         'C20 H16 Cl2 O2 Sn '
_chemical_formula_sum            'C20 H16 Cl2 O2 Sn'
_chemical_formula_weight         477.94
_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                 111.34(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   15.119(5)
_cell_length_b                   12.573(2)
_cell_length_c                   11.139(3)
_cell_measurement_temperature    293
_cell_volume                     1972.2(9)
_diffrn_ambient_temperature      293
_exptl_crystal_density_diffrn    1.610
_refine_ls_R_factor_obs          0.0270
_refine_ls_wR_factor_obs         0.0310
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_original_formula_sum        'C20 H16 Cl2 O2 Sn '
_cod_database_code               8101173
Crystal structure of 2,6-diaminopyridinium nitrate, C~5~H~8~N~3~NO~3~
Kristiansson, Olof; Zeitschrift für Kristallographie - New Crystal Structures 215 (2000) 138–138; doi:

data_8101174
_publ_section_title
;
Crystal structure of 2,6-diaminopyridinium nitrate, C~5~H~8~N~3~NO~3~
;
_journal_issue                   1
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              138
_journal_page_last               138
_journal_volume                  215
_journal_year                    2000
_chemical_formula_structural     'C5 H8 N3  N O3'
_chemical_formula_sum            'C5 H8 N4 O3'
_chemical_formula_weight         172.15
_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                 94.349(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   3.7081(5)
_cell_length_b                   9.9879(14)
_cell_length_c                   10.4309(14)
_cell_measurement_temperature    295(2)
_cell_volume                     385.21(9)
_diffrn_ambient_temperature      295(2)
_exptl_crystal_density_diffrn    1.484
_refine_ls_R_factor_obs          0.0438
_refine_ls_wR_factor_obs         0.1032
_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      'P 21'
_cod_database_code               8101174
Crystal structure of 1-hexynyl(diphenyl)phosphine oxide, C~18~H~19~OP
Böduel, Rainer René; Hölemann, Alexandra; Schürmann, Markus; Preut, Hans; Mitchell, Terence; Zeitschrift für Kristallographie - New Crystal Structures 215 (2000) 117–118; doi:

data_8101175
_publ_section_title
;
Crystal structure of 1-hexynyl(diphenyl)phosphine oxide, C~18~H~19~OP
;
_journal_issue                   1
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              117
_journal_page_last               118
_journal_volume                  215
_journal_year                    2000
_chemical_formula_sum            'C18 H19 O P'
_chemical_formula_weight         282.30
_space_group_IT_number           9
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  'C -2yc'
_symmetry_space_group_name_H-M   'C 1 c 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 106.56(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   16.144(3)
_cell_length_b                   6.2390(10)
_cell_length_c                   16.387(4)
_cell_measurement_temperature    291(1)
_cell_volume                     1582.1(5)
_diffrn_ambient_temperature      291(1)
_exptl_crystal_density_diffrn    1.185
_refine_ls_R_factor_obs          0.0398
_refine_ls_wR_factor_obs         0.0965
_cod_original_sg_symbol_H-M      'C c'
_cod_database_code               8101175
Crystal structure of 9-(3-butenyl)-adenine, C~9~H11N~5~
Crisp, G. T.; Jiang, Y.-L.; Tiekink, E. R. T.; Zeitschrift für Kristallographie - New Crystal Structures 215 (2000) 83–84; doi:

data_8101176
_publ_section_title
;
Crystal structure of 9-(3-butenyl)-adenine, C~9~H11N~5~
;
_journal_issue                   1
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              83
_journal_page_last               84
_journal_volume                  215
_journal_year                    2000
_chemical_formula_moiety         'C9 H11 N5 '
_chemical_formula_sum            'C9 H11 N5'
_chemical_formula_weight         189.22
_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                 92.21(3)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   10.084(6)
_cell_length_b                   7.920(6)
_cell_length_c                   11.772(4)
_cell_measurement_temperature    113
_cell_volume                     939.5(8)
_diffrn_ambient_temperature      113
_exptl_crystal_density_diffrn    1.338
_refine_ls_R_factor_obs          0.0520
_refine_ls_wR_factor_obs         0.0590
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_original_formula_sum        'C9 H11 N5 '
_cod_database_code               8101176
Crystal structure of N-carboethoxycarbonyl-2-imidazolidinone, C~6~H~10~N~2~O~3~
Crisp, G. T.; Jiang, Y.-L.; Tiekink, E. R. T.; Zeitschrift für Kristallographie - New Crystal Structures 215 (2000) 85–86; doi:

data_8101177
_publ_section_title
;
Crystal structure of N-carboethoxycarbonyl-2-imidazolidinone, C~6~H~10~N~2~O~3~
;
_journal_issue                   1
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              85
_journal_page_last               86
_journal_volume                  215
_journal_year                    2000
_chemical_formula_moiety         'C6 H10 N2 O3 '
_chemical_formula_sum            'C6 H10 N2 O3'
_chemical_formula_weight         158.16
_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
_cell_angle_beta                 90.49(4)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   6.121(3)
_cell_length_b                   8.840(4)
_cell_length_c                   13.346(8)
_cell_measurement_temperature    113
_cell_volume                     722.1(6)
_diffrn_ambient_temperature      113
_exptl_crystal_density_diffrn    1.455
_refine_ls_R_factor_obs          0.0540
_refine_ls_wR_factor_obs         0.0650
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_original_formula_sum        'C6 H10 N2 O3 '
_cod_database_code               8101177
Crystal structure of 3-(3-chloro-p-tolyl)-1,1-dimethylurea, C~10~H~13~ClN~2~O
Pèpe, Gérard; Veesler, Stéphane; Astier, Jean-Pierre; Pfefer, Guillaume; Corti, Christelle; Zeitschrift für Kristallographie - New Crystal Structures 215 (2000) 63–64; doi:

data_8101178
_publ_section_title
;
Crystal structure of 3-(3-chloro-p-tolyl)-1,1-dimethylurea, C~10~H~13~ClN~2~O
;
_journal_issue                   1
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              63
_journal_page_last               64
_journal_volume                  215
_journal_year                    2000
_chemical_formula_sum            'C10 H13 Cl N2 O'
_chemical_formula_weight         212.67
_chemical_name_common            Chlortoluron
_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                 100.18(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   7.758(1)
_cell_length_b                   14.471(2)
_cell_length_c                   9.432(1)
_cell_measurement_temperature    293(2)
_cell_volume                     1042.2(2)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.355
_refine_ls_R_factor_obs          0.0425
_refine_ls_wR_factor_obs         0.0855
_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      'P 21/c'
_cod_database_code               8101178
Crystal structure of 2-thiophenealdoxime, C~5~H~5~NOS
Joannou, John; Martin, Lisandra L.; Taylor, Max R.; Zeitschrift für Kristallographie - New Crystal Structures 215 (2000) 119–120; doi:

data_8101179
_publ_section_title
;
Crystal structure of 2-thiophenealdoxime, C~5~H~5~NOS
;
_journal_issue                   1
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              119
_journal_page_last               120
_journal_volume                  215
_journal_year                    2000
_chemical_formula_sum            'C5 H5 N O S'
_chemical_formula_weight         127.17
_chemical_name_common            2-thiophenealdoxime
_space_group_crystal_system      orthorhombic
_space_group_IT_number           29
_space_group_name_Hall           'P 2c -2ac'
_space_group_name_H-M_alt        'P c a 21'
_cell_angle_alpha                90.00000
_cell_angle_beta                 90.00000
_cell_angle_gamma                90.00000
_cell_formula_units_Z            8
_cell_length_a                   11.588(1)
_cell_length_b                   13.724(1)
_cell_length_c                   7.522(1)
_cell_measurement_temperature    293(2)
_cell_volume                     1196.3(2)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.412
_refine_ls_R_factor_obs          .046
_refine_ls_wR_factor_obs         0.121
_cod_original_sg_symbol_Hall     p_2c_-2ac
_cod_original_formula_sum        'C5 H5 N1 O1 S1'
_cod_database_code               8101179
Crystal structure of bis[2,6-{bis(dimethylamino)methyl}phenyl]-di- μ-oxoditellurium bis(hexafluorophosphate), [Te(C~12~H~19~N~2~)O]~2~(PF~6~)~2~
Kobayashi, Katsutoshi; Sato, Soichi; Horn, Ernst; Furukawa, Naomichi; Zeitschrift für Kristallographie - New Crystal Structures 215 (2000) 21–22; doi:10.1515/ncrs-2000-0114

data_8101180
_publ_section_title
;
 Crystal structure of bis[2,6-{bis(dimethylamino)methyl}phenyl]-di-
 \m-oxoditellurium bis(hexafluorophosphate), [Te(C~12~H~19~N~2~)O]~2~(PF~6~)~2~
;
_journal_coden_ASTM              ZKNSFT
_journal_issue                   1
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              21
_journal_page_last               22
_journal_paper_doi               10.1515/ncrs-2000-0114
_journal_volume                  215
_journal_year                    2000
_chemical_formula_structural     '[Te(C12 H19 N2)O]2 . 2(P F6)'
_chemical_formula_sum            'C12 H19 F6 N2 O P Te'
_chemical_formula_weight         479.86
_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                 91.54(1)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.843(1)
_cell_length_b                   9.648(2)
_cell_length_c                   19.941(2)
_cell_measurement_temperature    296.2
_cell_volume                     1700.8(4)
_diffrn_ambient_temperature      296.2
_exptl_crystal_density_diffrn    1.874
_refine_ls_R_factor_obs          0.0395
_refine_ls_wR_factor_obs         0.0522
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_original_formula_sum        'C12 H19 F6 N2 O P Te '
_cod_database_code               8101180