LMucko/crystallography-open-database huggingface dataset:
Crystal structure of bis[2-N-(2,5-diphenylpyrrol-1-yl)-amido-4-N- (2,5-diphenylpyrrol-1-yl)imino-2-pent-3-en]-bis(?-hydroxo)dizinc(II) dichloromethane solvate, Zn~2~(OH)~2~(C~37~H~31~N~4~)~2~ · CH~2~Cl~2~
Amort, Christoph; Kopacka, Holger; Bildstein, Benno; Wurst, Klaus; Zeitschrift für Kristallographie - New Crystal Structures 219 (2004) 331–332; doi:

data_8100129
_publ_section_title
;
Crystal structure of bis[2-N-(2,5-diphenylpyrrol-1-yl)-amido-4-N-
(2,5-diphenylpyrrol-1-yl)imino-2-pent-3-en]-bis(?-hydroxo)dizinc(II) 
dichloromethane solvate, Zn~2~(OH)~2~(C~37~H~31~N~4~)~2~ &#x00B7; CH~2~Cl~2~
;
_journal_issue                   3
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              331
_journal_page_last               332
_journal_volume                  219
_journal_year                    2004
_chemical_formula_sum            'C75 H66 Cl2 N8 O2 Zn2'
_chemical_formula_weight         1313.00
_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                 108.24(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   20.144(7)
_cell_length_b                   14.524(5)
_cell_length_c                   23.523(7)
_cell_measurement_temperature    218(2)
_cell_volume                     6536(4)
_diffrn_ambient_temperature      218(2)
_exptl_crystal_density_diffrn    1.334
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               8100129
Crystal structure of 4-(2',4'-difluorobiphenyl-4-yl)-2-methylbutanoic acid, F~2~C~16~H~15~COOH, deoxoflobufen
Bulej, Petr; Kuchař, Miroslav; Hušák, Michal; Kratochvíl, Bohumil; Jegorov, Alexandr; Zeitschrift für Kristallographie - New Crystal Structures 219 (2004) 297–298; doi:

data_8100130
_publ_section_title
;
Crystal structure of 4-(2',4'-difluorobiphenyl-4-yl)-2-methylbutanoic 
acid, F~2~C~16~H~15~COOH, deoxoflobufen
;
_journal_issue                   3
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              297
_journal_page_last               298
_journal_volume                  219
_journal_year                    2004
_chemical_formula_moiety         'C17 H16 F2 O2'
_chemical_formula_sum            'C17 H16 F2 O2'
_chemical_formula_weight         290.31
_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                80.57(2)
_cell_angle_beta                 87.32(1)
_cell_angle_gamma                73.91(2)
_cell_formula_units_Z            2
_cell_length_a                   6.0045(7)
_cell_length_b                   10.551(3)
_cell_length_c                   12.503(3)
_cell_measurement_temperature    293
_cell_volume                     750.8
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.284
_cod_database_code               8100130
Crystal structure of benzylammonium 4-(2',4'-difluorobiphenyl-4-yl)- 2-methylbutyrate, (F~2~C~16~H~15~COO)(C~7~H~7~NH~3~), a salt of deoxoflobufen
Bulej, Petr; Kuchař, Miroslav; Hušák, Michal; Kratochvíl, Bohumil; Císařova, Ivana; Jegorov, Alexandr; Zeitschrift für Kristallographie - New Crystal Structures 219 (2004) 299–300; doi:

data_8100131
_publ_section_title
;
Crystal structure of benzylammonium 4-(2',4'-difluorobiphenyl-4-yl)-
2-methylbutyrate, (F~2~C~16~H~15~COO)(C~7~H~7~NH~3~), a salt of deoxoflobufen
;
_journal_issue                   3
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              299
_journal_page_last               300
_journal_volume                  219
_journal_year                    2004
_chemical_formula_moiety         'C24 H25 F2 N1 O2'
_chemical_formula_sum            'C24 H25 F2 N O2'
_chemical_formula_weight         397.46
_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                84.439(2)
_cell_angle_beta                 83.312(2)
_cell_angle_gamma                84.6430(19)
_cell_formula_units_Z            2
_cell_length_a                   6.1640(3)
_cell_length_b                   10.6400(5)
_cell_length_c                   16.2230(6)
_cell_measurement_temperature    150
_cell_volume                     1048.14(8)
_diffrn_ambient_temperature      150(1)
_exptl_crystal_density_diffrn    1.259
_cod_original_formula_sum        'C24 H25 F2 N1 O2'
_cod_database_code               8100131
Crystal structure of dimethyl di-sec-butylammonium iodide, [(CH~3~)~2~(C~4~H~9~)~2~N]I
Jeanneau, Erwann; Zeitschrift für Kristallographie - New Crystal Structures 219 (2004) 321–322; doi:

data_8100132
_publ_section_title
;
Crystal structure of dimethyl di-sec-butylammonium iodide, 
[(CH~3~)~2~(C~4~H~9~)~2~N]I
;
_journal_issue                   3
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              321
_journal_page_last               322
_journal_volume                  219
_journal_year                    2004
_chemical_formula_moiety         'C10 H24 N, I'
_chemical_formula_structural     'C10 H24 I1 N1'
_chemical_formula_sum            'C10 H24 I N'
_chemical_formula_weight         285.21
_chemical_name_common            'dimethyl di-sec-butylammonium iodide'
_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                 90.675(5)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   9.523(5)
_cell_length_b                   12.227(5)
_cell_length_c                   11.321(5)
_cell_measurement_temperature    293(2)
_cell_volume                     1318.1(11)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.437
_cod_original_sg_symbol_Hall     '2'-P 2ybc'
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_original_formula_sum        'C10 H24 I1 N1'
_cod_database_code               8100132
Crystal structure of cyclo-hexakis[μ-methoxo-μ-sulfido-benzyltin(IV)], [(C~7~H~7~)Sn(CH~3~O)S]~6~
Zhang, R.-F.; Sun, J.-F.; Ma, C.-L.; Zeitschrift für Kristallographie - New Crystal Structures 219 (2004) 301–302; doi:10.1524/ncrs.2004.219.14.321

data_8100133
_publ_section_title
;
 Crystal structure of cyclo-hexakis[\m-methoxo-\m-sulfido-benzyltin(IV)],
 [(C~7~H~7~)Sn(CH~3~O)S]~6~
;
_journal_coden_ASTM              ZKNSFT
_journal_issue                   3
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              301
_journal_page_last               302
_journal_paper_doi               10.1524/ncrs.2004.219.14.321
_journal_volume                  219
_journal_year                    2004
_chemical_formula_sum            'C48 H60 O6 S6 Sn6'
_chemical_formula_weight         1637.46
_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                 100.772(14)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   10.178(9)
_cell_length_b                   27.01(2)
_cell_length_c                   10.764(9)
_cell_measurement_temperature    298(2)
_cell_volume                     2907(4)
_diffrn_ambient_temperature      298(2)
_exptl_crystal_density_diffrn    1.871
_cod_depositor_comments
;
 Updated bibliographic information.

 Antanas Vaitkus,
 2020-10-02
;
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               8100133
Crystal structure of cyclohexyl-tert-butylammonium dichlorophosphate, (C~10~H~20~NH~2~)PCl~2~O~2~
Gholivand, Khodayar; Pourayoubi, Mehrdad; Zeitschrift für Kristallographie - New Crystal Structures 219 (2004) 314–316; doi:

data_8100134
_publ_section_title
;
Crystal structure of cyclohexyl-tert-butylammonium dichlorophosphate, 
(C~10~H~20~NH~2~)PCl~2~O~2~
;
_journal_issue                   3
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              314
_journal_page_last               316
_journal_volume                  219
_journal_year                    2004
_chemical_formula_moiety         'C10 H22 N +1, Cl2 O2 P -1'
_chemical_formula_sum            'C10 H22 Cl2 N O2 P'
_chemical_formula_weight         290.16
_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                98.571(3)
_cell_angle_beta                 92.727(3)
_cell_angle_gamma                101.392(3)
_cell_formula_units_Z            4
_cell_length_a                   9.3578(12)
_cell_length_b                   10.4326(12)
_cell_length_c                   16.186(2)
_cell_measurement_temperature    293(2)
_cell_volume                     1526.9(3)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.262
_cod_database_code               8100134
Crystal structure of bis(4-bromoanilinium) tetrachloroplumbate(II), (BrC~6~H~4~NH~3~)~2~PbCl~4~
Liu, Zhi; Yu, Wen-Tao; Tao, Xu-Tang; Jiang, Min-Hua; Zeitschrift für Kristallographie - New Crystal Structures 219 (2004) 303–304; doi:

data_8100135
_publ_section_title
;
Crystal structure of bis(4-bromoanilinium) tetrachloroplumbate(II), 
(BrC~6~H~4~NH~3~)~2~PbCl~4~
;
_journal_issue                   3
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              303
_journal_page_last               304
_journal_volume                  219
_journal_year                    2004
_chemical_formula_moiety         '(C6 H7 N Br)2,Pb Cl4'
_chemical_formula_sum            'C12 H14 Br2 Cl4 N2 Pb'
_chemical_formula_weight         695.06
_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                 104.774(7)
_cell_angle_gamma                90.00
_cell_formula_units_Z            6
_cell_length_a                   17.3727(15)
_cell_length_b                   7.7631(13)
_cell_length_c                   22.2415(17)
_cell_measurement_temperature    293(2)
_cell_volume                     2900.5(6)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    2.388
_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               8100135
Crystal structure of hexaaquamanganese(II) succinate hexamethylenetetramine disolvate tetrahydrate, [Mn(H~2~O)~6~](C~4~H~4~O~4~) · 2C~6~H~12~N~4~ · 4H~2~O
Ge, Xiang; Sun, Jie; Zheng, Yue-Qing; Zeitschrift für Kristallographie - New Crystal Structures 219 (2004) 237–238; doi:

data_8100136
_publ_section_title
;
Crystal structure of hexaaquamanganese(II) succinate hexamethylenetetramine 
disolvate tetrahydrate, [Mn(H~2~O)~6~](C~4~H~4~O~4~) &#x00B7; 2C~6~H~12~N~4~ 
&#x00B7; 4H~2~O
;
_journal_issue                   3
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              237
_journal_page_last               238
_journal_volume                  219
_journal_year                    2004
_chemical_formula_moiety
'[Mn(H~2~O)~6~](C~4~H~4~O~4~)(C~6~H~12~N~4~)~2~(H~2~O)~4~'
_chemical_formula_sum            'C16 H48 Mn N8 O14'
_chemical_formula_weight         631.56
_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                80.88(3)
_cell_angle_beta                 78.48(3)
_cell_angle_gamma                61.50(3)
_cell_formula_units_Z            1
_cell_length_a                   9.3880(19)
_cell_length_b                   9.4210(19)
_cell_length_c                   9.4490(19)
_cell_measurement_temperature    293(2)
_cell_volume                     717.7(3)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.461
_cod_database_code               8100136
Crystal structure of N-acetyl-D-2-(1,4-cyclohexadienyl)glycine ethyl ester, C~12~H~17~NO~3~
Dialer, Harald; Nöth, Heinrich; Seifert, Thomas; Beck, Wolfgang; Zeitschrift für Kristallographie - New Crystal Structures 219 (2004) 309–310; doi:

data_8100137
_publ_section_title
;
Crystal structure of N-acetyl-D-2-(1,4-cyclohexadienyl)glycine ethyl 
ester, C~12~H~17~NO~3~
;
_journal_issue                   3
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              309
_journal_page_last               310
_journal_volume                  219
_journal_year                    2004
_chemical_formula_sum            'C12 H17 N O3'
_chemical_formula_weight         223.27
_chemical_name_common
'N-Acetyl-D-2-(1,4-cyclohxadienyl)glycine ethyl ester'
_space_group_IT_number           19
_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                   4.95300(10)
_cell_length_b                   9.0831(2)
_cell_length_c                   26.46570(10)
_cell_measurement_temperature    193
_cell_volume                     1190.65(4)
_diffrn_ambient_temperature      193
_exptl_crystal_density_diffrn    1.246
_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               8100137
Crystal structure of hexaphenanthrolinium (hexanitrato)-neodymate(III) trinitrate, (C~12~H~9~N~2~)~6~[Nd(NO~3~)~6~](NO~3~)~3~
Wei, Dan-Yi; Xie, Hong-Zhen; Zheng, Yue-Qing; Zeitschrift für Kristallographie - New Crystal Structures 219 (2004) 239–240; doi:

data_8100138
_publ_section_title
;
Crystal structure of hexaphenanthrolinium (hexanitrato)-neodymate(III) 
trinitrate, (C~12~H~9~N~2~)~6~[Nd(NO~3~)~6~](NO~3~)~3~
;
_journal_issue                   3
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              239
_journal_page_last               240
_journal_volume                  219
_journal_year                    2004
_chemical_formula_moiety         (phenH)~6~[Nd(NO~3~)~6~](NO~3~)~3~
_chemical_formula_sum            'C72 H54 N21 Nd O27'
_chemical_formula_weight         1789.60
_space_group_IT_number           167
_symmetry_cell_setting           trigonal
_symmetry_space_group_name_Hall  '-R 3 2"c'
_symmetry_space_group_name_H-M   'R -3 c :H'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                120.00
_cell_formula_units_Z            6
_cell_length_a                   17.5893(6)
_cell_length_b                   17.5893(6)
_cell_length_c                   40.1964(18)
_cell_measurement_temperature    293(2)
_cell_volume                     10770.0(7)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.656
_cod_original_sg_symbol_H-M      'R -3 c'
_cod_database_code               8100138
Crystal structure of tris(1,10-phenanthroline-N,N')nickel(II) fumarate fumaric acid disolvate tetrahydrate, [Ni(C~12~H~8~N~2~)~3~](C~4~H~2~O~4~) · 2C~4~H~4~O~4~ · 4H~2~O
Lin, Jian-Li; Zheng, Yue-Qing; Zeitschrift für Kristallographie - New Crystal Structures 219 (2004) 230–232; doi:

data_8100139
_publ_section_title
;
Crystal structure of tris(1,10-phenanthroline-N,N')nickel(II) fumarate 
fumaric acid disolvate tetrahydrate, [Ni(C~12~H~8~N~2~)~3~](C~4~H~2~O~4~) 
&#x00B7; 2C~4~H~4~O~4~ &#x00B7; 4H~2~O
;
_journal_issue                   3
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              230
_journal_page_last               232
_journal_volume                  219
_journal_year                    2004
_chemical_formula_sum            'C48 H42 N6 Ni O16'
_chemical_formula_weight         1017.59
_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                102.83(3)
_cell_angle_beta                 90.29(3)
_cell_angle_gamma                116.46(3)
_cell_formula_units_Z            2
_cell_length_a                   12.159(2)
_cell_length_b                   12.486(3)
_cell_length_c                   17.009(3)
_cell_measurement_temperature    293(2)
_cell_volume                     2238.0(8)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.510
_cod_database_code               8100139
Redetermination of the crystal structure of tricyclohexyltin(IV) iodide, [Sn(C~6~H~11~)~3~]I
Reuter, Hans; Zeitschrift für Kristallographie - New Crystal Structures 219 (2004) 327–328; doi:

data_8100140
_publ_section_title
;
Redetermination of the crystal structure of tricyclohexyltin(IV) iodide, 
[Sn(C~6~H~11~)~3~]I
;
_journal_issue                   3
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              327
_journal_page_last               328
_journal_volume                  219
_journal_year                    2004
_chemical_formula_sum            'C18 H33 I Sn'
_chemical_formula_weight         495.03
_space_group_IT_number           62
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      62
_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_formula_units_Z            4
_cell_length_a                   12.265(1)
_cell_length_b                   16.707(2)
_cell_length_c                   10.044(2)
_cell_measurement_temperature    293(2)
_cell_volume                     2058.1(5)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.598
_refine_ls_R_factor_obs          0.0573
_refine_ls_wR_factor_obs         0.1577
_cod_database_code               8100140
Crystal structure of 2-(2,6-difluorophenylamino)pyridine, C~11~H~8~F~2~N~2~
Polamo, Mika; Talja, Markku; Zeitschrift für Kristallographie - New Crystal Structures 219 (2004) 317–318; doi:

data_8100141
_publ_section_title
;
Crystal structure of 2-(2,6-difluorophenylamino)pyridine, C~11~H~8~F~2~N~2~
;
_journal_issue                   3
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              317
_journal_page_last               318
_journal_volume                  219
_journal_year                    2004
_chemical_formula_moiety         'C11 H8 F2 N2'
_chemical_formula_sum            'C11 H8 F2 N2'
_chemical_formula_weight         206.19
_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                90.0
_cell_angle_beta                 90.0
_cell_angle_gamma                90.0
_cell_formula_units_Z            8
_cell_length_a                   14.922(2)
_cell_length_b                   8.605(9)
_cell_length_c                   15.308(9)
_cell_measurement_temperature    173(2)
_cell_volume                     1966(2)
_diffrn_ambient_temperature      173(2)
_exptl_crystal_density_diffrn    1.394
_cod_database_code               8100141
Crystal structure of hexaaquamagnesium(II) bis(hydrogen-cis-9,10-dihydro- 9,10-ethanoanthracene-11,12-dicarboxylate) dihydrate, [Mg(H~2~O)~6~] [C~18~H~13~O~4~]~2~ · 2H~2~O
Somsook, Ekasith; Rujeeratanavorapan, Vipavee; Pisitsak, Penwisa; Suriyarak, Sarisa; Prabpai, Samran; Kongsaeree, Palangpon; Pohmakotr, Manat; Zeitschrift für Kristallographie - New Crystal Structures 219 (2004) 319–320; doi:

data_8100142
_publ_section_title
;
Crystal structure of hexaaquamagnesium(II) bis(hydrogen-cis-9,10-dihydro-
9,10-ethanoanthracene-11,12-dicarboxylate) dihydrate, [Mg(H~2~O)~6~]
[C~18~H~13~O~4~]~2~ &#x00B7; 2H~2~O
;
_journal_issue                   3
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              319
_journal_page_last               320
_journal_volume                  219
_journal_year                    2004
_chemical_formula_moiety         'C36 H46 Mg O18 '
_chemical_formula_sum            'C36 H46 Mg O18'
_chemical_formula_weight         791.058
_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                 96.087(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   18.3358(7)
_cell_length_b                   12.1644(5)
_cell_length_c                   8.5208(2)
_cell_measurement_temperature    298
_cell_volume                     1889.80(11)
_exptl_crystal_density_diffrn    1.390
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_original_formula_sum        'C36 H46 Mg O18 '
_cod_database_code               8100142
Crystal structure of 2-(3-diphenylamino)-benzo[de]anthracen-malononitrile, C~32~H~19~N~3~
Yu, Ming-Xin; Zeitschrift für Kristallographie - New Crystal Structures 219 (2004) 307–308; doi:

data_8100143
_publ_section_title
;
Crystal structure of 2-(3-diphenylamino)-benzo[de]anthracen-malononitrile, 
C~32~H~19~N~3~
;
_journal_issue                   3
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              307
_journal_page_last               308
_journal_volume                  219
_journal_year                    2004
_chemical_formula_sum            'C32 H19 N3'
_chemical_formula_weight         445.50
_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                 94.187(6)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   9.000(2)
_cell_length_b                   8.838(2)
_cell_length_c                   28.702(7)
_cell_measurement_temperature    295(2)
_cell_volume                     2276.9(10)
_diffrn_ambient_temperature      295(2)
_exptl_crystal_density_diffrn    1.300
_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               8100143