LMucko/crystallography-open-database huggingface dataset:
Crystal structure of (N,N-dimethylvinyl)triphenylphosphonium thiocyanate, [(CH~3~)~2~N(C~2~H<B>~2</B>~)P(C~6~H~5~)~3~](SCN)
Yapo, Y. M.; Tenon, J. A.; Aycard, J. P.; Zeitschrift für Kristallographie - New Crystal Structures 217 (2002) 389–390; doi:

data_8100686
_publ_section_title
;
Crystal structure of (N,N-dimethylvinyl)triphenylphosphonium thiocyanate, 
[(CH~3~)~2~N(C~2~H<B>~2</B>~)P(C~6~H~5~)~3~](SCN)
;
_journal_issue                   3
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              389
_journal_page_last               390
_journal_volume                  217
_journal_year                    2002
_chemical_formula_moiety         'C23 H23 N2 P S'
_chemical_formula_structural     '[(CH3)2 N(C2 H2) P(C6 H5)3] (SCN) '
_chemical_formula_sum            'C23 H23 N2 P S'
_chemical_formula_weight         390.46
_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                 96.79(5)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   11.116(4)
_cell_length_b                   12.099(3)
_cell_length_c                   15.458(3)
_cell_measurement_temperature    293(2)
_cell_volume                     2064.4(10)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.256
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               8100686
Crystal structure of 4-methyl-5-(5-{[5-(4-methyl-2-phenyl-1,3-thiazol- 5-yl)-4-phenyl-4H-1,2,4-triazol-3-yl}disulfanyl]-4-phenyl-4H-1,2,4- triazol-3-yl)-2-phenyl-1,3-thiazol acetonitrile, (C~36~H~26~N~8~S~4~) (C~2~H~3~N)
Ramazani, Ali; Morsali, Ali; Jalilian, Amir Reza; Jamali, Fahimeh; Gouranlou, Farideh; Zeitschrift für Kristallographie - New Crystal Structures 217 (2002) 395–397; doi:

data_8100687
_publ_section_title
;
Crystal structure of 4-methyl-5-(5-{[5-(4-methyl-2-phenyl-1,3-thiazol-
5-yl)-4-phenyl-4H-1,2,4-triazol-3-yl}disulfanyl]-4-phenyl-4H-1,2,4-
triazol-3-yl)-2-phenyl-1,3-thiazol acetonitrile, (C~36~H~26~N~8~S~4~)
(C~2~H~3~N)
;
_journal_issue                   3
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              395
_journal_page_last               397
_journal_volume                  217
_journal_year                    2002
_chemical_formula_moiety         'C36 H26 N8 S4, C2 H3 N'
_chemical_formula_structural     '(C36 H26 N8 S4)(C2 H3 N)'
_chemical_formula_sum            'C38 H29 N9 S4'
_chemical_formula_weight         739.94
_chemical_melting_point          189
_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                 94.971(11)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   13.099(7)
_cell_length_b                   19.660(10)
_cell_length_c                   13.914(7)
_cell_measurement_temperature    140(2)
_cell_volume                     3570(3)
_diffrn_ambient_temperature      140(2)
_exptl_crystal_density_diffrn    1.377
_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/n'
_cod_database_code               8100687
Crystal structure of 5,11,17,23-tetra-t-butyl-25,27-dihydroxy-26,28- di-tosyloxy-tetrathiacalix[4]arene dichloromethane, C~54~H~60~O~8~S~6~ · 2(CH~2~Cl~2~)
Paulus, E. F.; Joswig, W.; Böhmer, V.; Saadioui, M.; Angelkort, J.; Buchsbaum, N.; Djanhan, J.; Gumann, N.; Peters, M.; Ton, Q. C.; Zeitschrift für Kristallographie - New Crystal Structures 217 (2002) 398–400; doi:

data_8100688
_publ_section_title
;
Crystal structure of 5,11,17,23-tetra-t-butyl-25,27-dihydroxy-26,28-
di-tosyloxy-tetrathiacalix[4]arene dichloromethane, C~54~H~60~O~8~S~6~ 
&#x00B7; 2(CH~2~Cl~2~)
;
_journal_issue                   3
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              398
_journal_page_last               400
_journal_volume                  217
_journal_year                    2002
_chemical_formula_moiety         'C54 H60 O8 S6 * 2 x C H2 Cl2'
_chemical_formula_structural     '(C54 H60 O8 S6) . 2(C H2 Cl2)'
_chemical_formula_sum            'C56 H64 Cl4 O8 S6'
_chemical_formula_weight         1199.23
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_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                 105.43(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   14.529(3)
_cell_length_b                   23.126(5)
_cell_length_c                   18.147(4)
_cell_measurement_temperature    100(2)
_cell_volume                     5878(2)
_diffrn_ambient_temperature      100(2)
_exptl_crystal_density_diffrn    1.355
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               8100688
Crystal structure of 2RS,5-diphenyl-8RS-3,5,7-triazatricyclo[6.5.1.0 ^3,7^]tetradeca-9,11,13-triene-4,6-dione, C~23~H~19~N~3~O~2~
Gream, G. E.; Kirkbride, P. K.; Tiekink, E. R. T.; Zeitschrift für Kristallographie - New Crystal Structures 217 (2002) 351–352; doi:

data_8100689
_publ_section_title
;
Crystal structure of 2RS,5-diphenyl-8RS-3,5,7-triazatricyclo[6.5.1.0
^3,7^]tetradeca-9,11,13-triene-4,6-dione, C~23~H~19~N~3~O~2~
;
_journal_issue                   3
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              351
_journal_page_last               352
_journal_volume                  217
_journal_year                    2002
_chemical_formula_moiety         'C23 H19 N3 O2'
_chemical_formula_structural     'C23 H19 N3 O2'
_chemical_formula_sum            'C23 H19 N3 O2'
_chemical_formula_weight         369.42
_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                 92.22(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   10.247(2)
_cell_length_b                   16.465(2)
_cell_length_c                   10.572(4)
_cell_measurement_temperature    173
_cell_volume                     1782.4(7)
_diffrn_ambient_temperature      173
_exptl_crystal_density_diffrn    1.377
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               8100689
Crystal structure of 3-(E)-benzylidene-(1RS,2SR,5RS,6SR)-tricyclo- [4.2.2.0^2,5^]deca-7-ene-9,9,10,10-tetracarbonitrile, C~21~H~14~N~4~
Gream, G. E.; Kirkbride, P. K.; Tiekink, E. R. T.; Zeitschrift für Kristallographie - New Crystal Structures 217 (2002) 353–354; doi:

data_8100690
_publ_section_title
;
Crystal structure of 3-(E)-benzylidene-(1RS,2SR,5RS,6SR)-tricyclo-
[4.2.2.0^2,5^]deca-7-ene-9,9,10,10-tetracarbonitrile, C~21~H~14~N~4~
;
_journal_issue                   3
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              353
_journal_page_last               354
_journal_volume                  217
_journal_year                    2002
_chemical_formula_moiety         'C21 H14 N4 '
_chemical_formula_structural     'C21 H14 N4'
_chemical_formula_sum            'C21 H14 N4'
_chemical_formula_weight         323.38
_space_group_IT_number           43
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'F 2 -2d'
_symmetry_space_group_name_H-M   'F d d 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            16
_cell_length_a                   24.028(5)
_cell_length_b                   26.31(1)
_cell_length_c                   10.456(4)
_cell_measurement_temperature    173
_cell_volume                     6609(3)
_diffrn_ambient_temperature      173
_exptl_crystal_density_diffrn    1.300
_cod_original_formula_sum        'C21 H14 N4 '
_cod_database_code               8100690
Crystal structure of 5,11,17,23-tetrakis-cyanomethyl 25,26,27,28- tetrahydroxycalix[4]arene, C~36~H~28~N~4~O~4~, a test case on microcrystals using synchrotron radiation
Lecouvey, M.; Neuman, A.; Prangé, T.; Zeitschrift für Kristallographie - New Crystal Structures 217 (2002) 445–447; doi:

data_8100691
_publ_section_title
;
Crystal structure of 5,11,17,23-tetrakis-cyanomethyl 25,26,27,28-
tetrahydroxycalix[4]arene, C~36~H~28~N~4~O~4~, a test case on microcrystals 
using synchrotron radiation
;
_journal_issue                   3
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              445
_journal_page_last               447
_journal_volume                  217
_journal_year                    2002
_chemical_formula_structural     'C36 H28 N4 O4'
_chemical_formula_sum            'C36 H28 N4 O4'
_chemical_formula_weight         580.62
_chemical_name_common            'p-tetracyanomethyl calixarene[4]'
_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                90.11(10)
_cell_angle_beta                 108.27(10)
_cell_angle_gamma                108.30(10)
_cell_formula_units_Z            2
_cell_length_a                   8.980(3)
_cell_length_b                   13.450(3)
_cell_length_c                   13.460(3)
_cell_measurement_temperature    100(2)
_cell_volume                     1456(1)
_diffrn_ambient_temperature      100(2)
_exptl_crystal_density_diffrn    1.325
_cod_database_code               8100691
Crystal structure of (2R,3S,4S,5S)-5-(tert-butyldimethylsilyl)-3,4- isopropylidene-2-methylpiperidine-1,3,4,5-tetrol, C~15~H~31~NO~4~Si
Pothier, Julien; Frey, Wolfgang; Jäger, Volker; Zeitschrift für Kristallographie - New Crystal Structures 217 (2002) 401–402; doi:

data_8100692
_publ_section_title
;
Crystal structure of (2R,3S,4S,5S)-5-(tert-butyldimethylsilyl)-3,4-
isopropylidene-2-methylpiperidine-1,3,4,5-tetrol, C~15~H~31~NO~4~Si
;
_journal_issue                   3
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              401
_journal_page_last               402
_journal_volume                  217
_journal_year                    2002
_chemical_formula_structural     C15H31NO4Si
_chemical_formula_sum            'C15 H31 N O4 Si'
_chemical_formula_weight         317.5
_space_group_IT_number           20
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'C 2c 2'
_symmetry_space_group_name_H-M   'C 2 2 21'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   6.9205(10)
_cell_length_b                   22.156(3)
_cell_length_c                   25.351(3)
_cell_measurement_temperature    293(2)
_cell_volume                     3887.1(10)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.085
_cod_database_code               8100692
Crystal structure of 5-(E)-benzylidenebicyclo[4.2.2]deca-2,7-diene- 9,9,10,10-tetracarbonitrile, C~21~H~14~N~4~
Gream, G. E.; Kirkbride, P. K.; Tiekink, E. R. T.; Zeitschrift für Kristallographie - New Crystal Structures 217 (2002) 355–356; doi:

data_8100693
_publ_section_title
;
Crystal structure of 5-(E)-benzylidenebicyclo[4.2.2]deca-2,7-diene-
9,9,10,10-tetracarbonitrile, C~21~H~14~N~4~
;
_journal_issue                   3
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              355
_journal_page_last               356
_journal_volume                  217
_journal_year                    2002
_chemical_formula_structural     'C21 H14 N4'
_chemical_formula_sum            'C21 H14 N4'
_chemical_formula_weight         322.36
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_cell_angle_alpha                91.92(1)
_cell_angle_beta                 99.16(1)
_cell_angle_gamma                101.20(2)
_cell_formula_units_Z            2
_cell_length_a                   7.630(2)
_cell_length_b                   9.497(2)
_cell_length_c                   12.467(2)
_cell_measurement_temperature    293(2)
_cell_volume                     872.9(3)
_diffrn_ambient_temperature      293
_exptl_crystal_density_diffrn    1.226
_cod_depositor_comments
;
 Updating space group information and adding the symmetry operation list.

 Antanas Vaitkus,
 2018-06-14

 Updating _geom_bond_atom_site_label_1 and _geom_bond_atom_site_label_2 data
 values to establish relationships between rows in different loops.

 Antanas Vaitkus,
 2018-06-14
;
_cod_database_code               8100693
Crystal structure of methyl 3-oxo-3H-benzo[f]chromene-1-carboxylate, C~15~H~10~O~4~
Ramazani, Ali; Morsali, Ali; Noshiranzadeh, Nader; Mohammadi, Bagher; Souldozi, Ali; Jamali, Fahimeh; Gouranlou, Farideh; Zeitschrift für Kristallographie - New Crystal Structures 217 (2002) 393–394; doi:

data_8100694
_publ_section_title
;
Crystal structure of methyl 3-oxo-3H-benzo[f]chromene-1-carboxylate, 
C~15~H~10~O~4~
;
_journal_issue                   3
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              393
_journal_page_last               394
_journal_volume                  217
_journal_year                    2002
_chemical_formula_moiety         'C15 H10 O4'
_chemical_formula_structural     'C15 H10 O4'
_chemical_formula_sum            'C15 H10 O4'
_chemical_formula_weight         254.23
_chemical_melting_point          140
_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                 96.205(4)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   12.2461(19)
_cell_length_b                   10.5414(18)
_cell_length_c                   8.9115(15)
_cell_measurement_temperature    110(2)
_cell_volume                     1143.7(3)
_diffrn_ambient_temperature      110(2)
_exptl_crystal_density_diffrn    1.477
_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               8100694
Refinement of the crystal structure of the triclinic modification of catena-tetraaquasuccinato-O,O'-manganese(II), Mn(H~2~O)~4~(C~4~H~4~O~4~)
Zheng, Yue-Qing; Sun, Jie; Lin, Jian-Li; Zeitschrift für Kristallographie - New Crystal Structures 217 (2002) 411–412; doi:

data_8100695
_publ_section_title
;
Refinement of the crystal structure of the triclinic modification 
of catena-tetraaquasuccinato-O,O'-manganese(II), Mn(H~2~O)~4~(C~4~H~4~O~4~)
;
_journal_issue                   3
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              411
_journal_page_last               412
_journal_volume                  217
_journal_year                    2002
_chemical_formula_structural     'Mn(H2 O)4 (C4 H4 O4)'
_chemical_formula_sum            'C4 H12 Mn O8'
_chemical_formula_weight         243.08
_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                83.410(10)
_cell_angle_beta                 75.840(10)
_cell_angle_gamma                81.190(10)
_cell_formula_units_Z            1
_cell_length_a                   5.2900(10)
_cell_length_b                   5.4740(10)
_cell_length_c                   7.7750(10)
_cell_measurement_temperature    293(2)
_cell_volume                     215.02(6)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.877
_cod_database_code               8100695
Crystal structure of tetraphenylphosphonium hexachloroantimonate(V), P(C~6~H~5~)~4~SbCl~6~
Czado, Wolfgang; Müller, Ulrich; Zeitschrift für Kristallographie - New Crystal Structures 217 (2002) 335–336; doi:

data_8100696
_publ_section_title
;
Crystal structure of tetraphenylphosphonium hexachloroantimonate(V), 
P(C~6~H~5~)~4~SbCl~6~
;
_journal_issue                   3
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              335
_journal_page_last               336
_journal_volume                  217
_journal_year                    2002
_chemical_formula_moiety         P(C~6~H~5~)~4~SbCl~6~
_chemical_formula_structural     'P(C6 H5)4 SbCl6'
_chemical_formula_sum            'C24 H20 Cl6 P Sb'
_chemical_formula_weight         673.82
_space_group_IT_number           85
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_Hall  '-P 4a'
_symmetry_space_group_name_H-M   'P 4/n :2'
_cell_angle_alpha                90.0
_cell_angle_beta                 90.0
_cell_angle_gamma                90.0
_cell_formula_units_Z            2
_cell_length_a                   13.095(2)
_cell_length_b                   13.095(2)
_cell_length_c                   7.780(2)
_cell_measurement_temperature    299(1)
_cell_volume                     1334.1(4)
_diffrn_ambient_temperature      299(1)
_exptl_crystal_density_diffrn    1.677
_cod_original_sg_symbol_H-M      'P 4/n'
_cod_database_code               8100696
Crystal structure of tetraphenylphosphonium hexabromoantimonate(V), P(C~6~H~5~)~4~SbBr~6~
Czado, Wolfgang; Müller, Ulrich; Zeitschrift für Kristallographie - New Crystal Structures 217 (2002) 337–338; doi:

data_8100697
_publ_section_title
;
Crystal structure of tetraphenylphosphonium hexabromoantimonate(V), 
P(C~6~H~5~)~4~SbBr~6~
;
_journal_issue                   3
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              337
_journal_page_last               338
_journal_volume                  217
_journal_year                    2002
_chemical_formula_moiety         P(C~6~H~5~)~4~SbBr~6~
_chemical_formula_structural     'P(C6 H5)4 SbBr6'
_chemical_formula_sum            'C24 H20 Br6 P Sb'
_chemical_formula_weight         940.58
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90.0
_cell_angle_beta                 93.98(1)
_cell_angle_gamma                90.0
_cell_formula_units_Z            4
_cell_length_a                   16.887(2)
_cell_length_b                   7.357(2)
_cell_length_c                   23.367(2)
_cell_measurement_temperature    296(2)
_cell_volume                     2896.1(9)
_diffrn_ambient_temperature      296(2)
_exptl_crystal_density_diffrn    2.157
_refine_ls_R_factor_obs          0.0350
_refine_ls_wR_factor_obs         0.0909
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               8100697
Crystal structure of 1,2-bis[2-methyl-5-(2-(1,3-dioxolane))-thien- 3-yl]perfluorocyclopentene, C~5~F~6~(C~4~HSCH~3~)~2~(C~3~H~4~O~2~) ~2~, a novel photochromic compound
Pu, Shou-Zhi; Zhang, Fu-Shi; Zhou, Xin-Hong; Sun, Fan; Guo, Hao-Bo; Chan, Shek-Kiu; Wang, Ru-Ji; Zeitschrift für Kristallographie - New Crystal Structures 217 (2002) 413–414; doi:

data_8100698
_publ_section_title
;
Crystal structure of 1,2-bis[2-methyl-5-(2-(1,3-dioxolane))-thien-
3-yl]perfluorocyclopentene, C~5~F~6~(C~4~HSCH~3~)~2~(C~3~H~4~O~2~)
~2~, a novel photochromic compound
;
_journal_issue                   3
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              413
_journal_page_last               414
_journal_volume                  217
_journal_year                    2002
_chemical_formula_moiety         'C5 F6 (C4 H S CH3)2 (C3H4O2)2'
_chemical_formula_structural     'C5 F6 (C4 H S CH3)2 (C3H4O2)2'
_chemical_formula_sum            'C21 H18 F6 O4 S2'
_chemical_formula_weight         512.47
_chemical_melting_point          70
_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                 94.967(13)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   8.7409(13)
_cell_length_b                   8.8215(10)
_cell_length_c                   28.547(4)
_cell_measurement_temperature    293(2)
_cell_volume                     2192.9(5)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.552
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               8100698
Crystal structure of hexamethylguanidinium difluorotrimethylsilicate, C~10~H~27~F~2~N~3~Si
Gerd-Volker ,Röschenthaler; Enno, Lork; German, Bissky; Alexander, Kolomeitsev; Zeitschrift für Kristallographie - New Crystal Structures 217 (2002) 419–420; doi:

data_8100699
_publ_section_title
;
Crystal structure of hexamethylguanidinium difluorotrimethylsilicate, 
C~10~H~27~F~2~N~3~Si
;
_journal_issue                   3
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              419
_journal_page_last               420
_journal_volume                  217
_journal_year                    2002
_chemical_formula_structural     'C10 H27 F2 N3 Si'
_chemical_formula_sum            'C10 H27 F2 N3 Si'
_chemical_formula_weight         255.44
_space_group_IT_number           176
_symmetry_cell_setting           hexagonal
_symmetry_space_group_name_Hall  '-P 6c'
_symmetry_space_group_name_H-M   'P 63/m'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                120.00
_cell_formula_units_Z            2
_cell_length_a                   7.8983(11)
_cell_length_b                   7.8983(11)
_cell_length_c                   14.675(3)
_cell_measurement_temperature    173(2)
_cell_volume                     792.8(2)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.070
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Hexagonal' changed to 'hexagonal'
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               8100699