LMucko/crystallography-open-database huggingface dataset:
Crystal structure of bis(1,10-phenanthroline)diazidocobalt(II), C~24~H~16~CoN~10~
Cheng, Ya-Qian; Hu, Mao-Lin; Zeitschrift für Kristallographie - New Crystal Structures 218 (2003) 95–96; doi:

data_8100269
_publ_section_title
;
Crystal structure of bis(1,10-phenanthroline)diazidocobalt(II), C~24~H~16~CoN~10~
;
_journal_issue                   1
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              95
_journal_page_last               96
_journal_volume                  218
_journal_year                    2003
_chemical_formula_structural     'C24 H16 CoN10'
_chemical_formula_sum            'C24 H16 Co N10'
_chemical_formula_weight         503.40
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                82.252(6)
_cell_angle_beta                 82.298(6)
_cell_angle_gamma                72.481(6)
_cell_formula_units_Z            2
_cell_length_a                   8.205(3)
_cell_length_b                   11.016(4)
_cell_length_c                   12.423(5)
_cell_measurement_temperature    293(2)
_cell_volume                     1055.9(7)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.583
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_formula_sum        'C24 H16 Co1 N10'
_cod_database_code               8100269
Crystal structure of N-acyl-(tert-butyloxycarbonyl-alanyl)dicyclohexylurea, C~21~H~37~N~3~O~4~
Vijay, Kumar Goel; Sharmistha, Dey; Arun, P. Baxla; Singh, T.P.; Zeitschrift für Kristallographie - New Crystal Structures 218 (2003) 57–58; doi:

data_8100270
_publ_section_title
;
Crystal structure of N-acyl-(tert-butyloxycarbonyl-alanyl)dicyclohexylurea, 
C~21~H~37~N~3~O~4~
;
_journal_issue                   1
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              57
_journal_page_last               58
_journal_volume                  218
_journal_year                    2003
_chemical_formula_moiety         'C21 H37 N3 O4'
_chemical_formula_sum            'C21 H37 N3 O4'
_chemical_formula_weight         395.00
_chemical_name_common
;
N-Acyl-(tert-butyloxycarbonyl-alanyl)dicyclohexylurea
;
_space_group_IT_number           92
_symmetry_cell_setting           tetragonal
_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_formula_units_Z            8
_cell_length_a                   10.090(2)
_cell_length_b                   10.090(2)
_cell_length_c                   45.966(9)
_cell_measurement_temperature    293(2)
_cell_volume                     4679.7(16)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.123
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Tetragonal' changed to 'tetragonal'
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               8100270
Crystal structure of diphenyl-2,2'-dipyridylamidophosphane, C~22~H~18~N~3~P
Kempe, Rhett; Schareina, Thomas; Zeitschrift für Kristallographie - New Crystal Structures 218 (2003) 99–100; doi:

data_8100271
_publ_section_title
;
Crystal structure of diphenyl-2,2'-dipyridylamidophosphane, C~22~H~18~N~3~P
;
_journal_issue                   1
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              99
_journal_page_last               100
_journal_volume                  218
_journal_year                    2003
_chemical_formula_structural     'C22 H18 N3 P'
_chemical_formula_sum            'C22 H18 N3 P'
_chemical_formula_weight         355.36
_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                 97.53(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   8.998(2)
_cell_length_b                   11.344(2)
_cell_length_c                   18.554(4)
_cell_measurement_temperature    200(2)
_cell_volume                     1877.5(7)
_diffrn_ambient_temperature      200(2)
_exptl_crystal_density_diffrn    1.257
_refine_ls_R_factor_obs          0.0319
_refine_ls_wR_factor_obs         0.0587
_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_original_formula_sum        'C22 H18 N3 P1'
_cod_database_code               8100271
Crystal structure of 1,3-bis[3,3,6,6-tetramethyl-3,4,6,7,9,10-hexahydro- 1,8(2H,5H)-acridinedione-9-yl]benzene, C~40~H~48~N~2~O~4~
Ahmed, Mohamed; Haase, Wolfgang; El-Saddek, Mohamed; Elwahy, Ahmed H. M.; Svoboda, Ingrid; Fuess, Hartmut; Zeitschrift für Kristallographie - New Crystal Structures 218 (2003) 90–92; doi:

data_8100272
_publ_section_title
;
Crystal structure of 1,3-bis[3,3,6,6-tetramethyl-3,4,6,7,9,10-hexahydro-
1,8(2H,5H)-acridinedione-9-yl]benzene, C~40~H~48~N~2~O~4~
;
_journal_issue                   1
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              90
_journal_page_last               92
_journal_volume                  218
_journal_year                    2003
_chemical_formula_structural     'C40 H48 N2 O4'
_chemical_formula_sum            'C40 H48 N2 O4'
_chemical_formula_weight         620.80
_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                 103.430(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   11.056(2)
_cell_length_b                   13.796(2)
_cell_length_c                   23.984(2)
_cell_measurement_temperature    299(2)
_cell_volume                     3558.2(9)
_diffrn_ambient_temperature      299(2)
_exptl_crystal_density_diffrn    1.159
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               8100272
Crystal structure of 2-ethenyl-4,4,7,7-tetrakis(2-tert-butyl-4,5,6- trimethyl- phenyl)-5,8-diphenyl-3-aza-4,7-digermabicyclo[4.2.0]octa- 2,5,8-triene—hexane (1:2), C~71~H~91~Ge~2~N · 2C~6~H~14~
Meiners, Frank; Saak, Wolfgang; Haase, Detlev; Weidenbruch, Manfred; Zeitschrift für Kristallographie - New Crystal Structures 218 (2003) 101–104; doi:

data_8100273
_publ_section_title
;
Crystal structure of 2-ethenyl-4,4,7,7-tetrakis(2-tert-butyl-4,5,6-
trimethyl- phenyl)-5,8-diphenyl-3-aza-4,7-digermabicyclo[4.2.0]octa-
2,5,8-triene---hexane (1:2), C~71~H~91~Ge~2~N &#x00B7; 2C~6~H~14~
;
_journal_issue                   1
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              101
_journal_page_last               104
_journal_volume                  218
_journal_year                    2003
_chemical_formula_structural     '(C71 H91 Ge2 N) &#x00B7; 2(C6 H14)'
_chemical_formula_sum            'C83 H119 Ge2 N'
_chemical_formula_weight         1275.97
_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                103.750(4)
_cell_angle_beta                 99.592(5)
_cell_angle_gamma                99.148(4)
_cell_formula_units_Z            2
_cell_length_a                   13.3143(6)
_cell_length_b                   14.9335(4)
_cell_length_c                   20.7978(8)
_cell_measurement_temperature    193(2)
_cell_volume                     3874.5(3)
_diffrn_ambient_temperature      193(2)
_exptl_crystal_density_diffrn    1.094
_cod_original_formula_sum        'C83 H119 Ge2 N1'
_cod_database_code               8100273
_publ_creation_date              2002-11-19
Crystal structure of tetraaquafumaratonickel(II), Ni(H~2~O)~4~(C~4~H~2~O~4~)
Xie, Hong-Zhen; Zheng, Yue-Qing; Wu, Qing-Shen; Zeitschrift für Kristallographie - New Crystal Structures 218 (2003) 111–112; doi:

data_8100274
_publ_section_title
;
Crystal structure of tetraaquafumaratonickel(II), Ni(H~2~O)~4~(C~4~H~2~O~4~)
;
_journal_issue                   1
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              111
_journal_page_last               112
_journal_volume                  218
_journal_year                    2003
_chemical_formula_structural     'Ni(H2 O)4(C4 H2 O4)'
_chemical_formula_sum            'C4 H10 Ni O8'
_chemical_formula_weight         244.83
_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                 99.67(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   7.4760(15)
_cell_length_b                   14.263(3)
_cell_length_c                   7.6330(15)
_cell_measurement_temperature    293(2)
_cell_volume                     802.3(3)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    2.027
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_original_formula_sum        'C4 H10 Ni1 O8'
_cod_database_code               8100274
Crystal structure of 6-deoxyclitoriacetal, C~19~H~18~O~8~
Roengsumran, S.; Khorphueng, P.; Chaichit, N.; Jaiboon-Muangsin, N.; Petsom, A.; Zeitschrift für Kristallographie - New Crystal Structures 218 (2003) 105–106; doi:

data_8100275
_publ_section_title
;
Crystal structure of 6-deoxyclitoriacetal, C~19~H~18~O~8~
;
_journal_issue                   1
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              105
_journal_page_last               106
_journal_volume                  218
_journal_year                    2003
_chemical_formula_structural     'C19 H18 O8'
_chemical_formula_sum            'C19 H18 O8'
_chemical_formula_weight         374.33
_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
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   6.3960(3)
_cell_length_b                   15.3916(4)
_cell_length_c                   17.1953(8)
_cell_measurement_temperature    293(2)
_cell_volume                     1692.79(12)
_exptl_crystal_density_diffrn    1.469
_cod_database_code               8100275
Crystal structure of (3S,4R,5R)-5-bromomethyl-3,4-isopropylidenedioxy- 3,4-dihydro-5H-pyrrole-1-oxide, C~8~H~12~BrNO~3~
Frey, Wolfgang; Bierer, Lars; Jäger, Volker; Zeitschrift für Kristallographie - New Crystal Structures 218 (2003) 107–108; doi:

data_8100276
_publ_section_title
;
Crystal structure of (3S,4R,5R)-5-bromomethyl-3,4-isopropylidenedioxy-
3,4-dihydro-5H-pyrrole-1-oxide, C~8~H~12~BrNO~3~
;
_journal_issue                   1
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              107
_journal_page_last               108
_journal_volume                  218
_journal_year                    2003
_chemical_formula_structural     'C8 H12 BrNO3'
_chemical_formula_sum            'C8 H12 Br N O3'
_chemical_formula_weight         250.10
_chemical_temperature_decomposition 405.5(15)
_space_group_IT_number           1
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  'P 1'
_symmetry_space_group_name_H-M   'P 1'
_cell_angle_alpha                106.535(8)
_cell_angle_beta                 95.896(11)
_cell_angle_gamma                104.285(11)
_cell_formula_units_Z            2
_cell_length_a                   5.7279(9)
_cell_length_b                   7.5393(8)
_cell_length_c                   12.5716(13)
_cell_measurement_temperature    293(2)
_cell_volume                     495.54(11)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.676
_refine_ls_R_factor_obs          0.0379
_refine_ls_wR_factor_obs         0.0882
_cod_depositor_comments
;
The following automatic conversions were performed:

'_chemical_melting_point' tag was changed to
'_chemical_temperature_decomposition' since the value had been given
as '404-407 K (dec.)'. The value was changed to '405.5(15)' - the
average value was taken and precision was estimated.

Automatic conversion script
Id: cif_fix_values 1646 2011-03-28 12:23:43Z adriana 
;
_cod_original_formula_sum        'C8 H12 Br1 N1 O3'
_cod_database_code               8100276
Crystal structure of (3S,4R,5S)-5-bromomethyl-3,4-isopropylidenedioxy- 3,4-dihydro-5H-pyrrole-1-oxid, C~8~H~12~BrNO~3~
Frey, Wolfgang; Redcliffe, James Leo; Jäger, Volker; Zeitschrift für Kristallographie - New Crystal Structures 218 (2003) 109–110; doi:

data_8100277
_publ_section_title
;
Crystal structure of (3S,4R,5S)-5-bromomethyl-3,4-isopropylidenedioxy-
3,4-dihydro-5H-pyrrole-1-oxid, C~8~H~12~BrNO~3~
;
_journal_issue                   1
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              109
_journal_page_last               110
_journal_volume                  218
_journal_year                    2003
_chemical_formula_structural     'C8 H12 BrNO3'
_chemical_formula_sum            'C8 H12 Br N O3'
_chemical_formula_weight         250.10
_chemical_melting_point          376.5(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                 98.390(17)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   6.3805(13)
_cell_length_b                   17.294(4)
_cell_length_c                   9.254(2)
_cell_measurement_temperature    293(2)
_cell_volume                     1010.2(4)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.644
_cod_depositor_comments
;
The following automatic conversions were performed:

'_chemical_melting_point' value '375-378 K' was changed to
'376.5(15)' - the average value was taken and precision was
estimated.

Automatic conversion script
Id: cif_fix_values 1646 2011-03-28 12:23:43Z adriana 
;
_cod_original_sg_symbol_H-M      'P 21'
_cod_original_formula_sum        'C8 H12 Br1 N1 O3'
_cod_database_code               8100277
Crystal structure of 3-[(3-oxo-1,3-dihydro-isobenzofuran-1-yl)-phenethyl- amino]-2-phenethyl-2,3-dihydro-isoindol-1-one, C~32~H~28~N~2~O~3~
Sobarzo-Sánchez, Eduardo; Cassels, Bruce K.; Castedo, Luis; Valencia-Matarranz, Laura; Zeitschrift für Kristallographie - New Crystal Structures 218 (2003) 81–82; doi:

data_8100278
_publ_section_title
;
Crystal structure of 3-[(3-oxo-1,3-dihydro-isobenzofuran-1-yl)-phenethyl-
amino]-2-phenethyl-2,3-dihydro-isoindol-1-one, C~32~H~28~N~2~O~3~
;
_journal_issue                   1
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              81
_journal_page_last               82
_journal_volume                  218
_journal_year                    2003
_chemical_formula_structural     'C32 H28 N2 O3'
_chemical_formula_sum            'C32 H28 N2 O3'
_chemical_formula_weight         488.56
_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                80.69(3)
_cell_angle_beta                 73.714(19)
_cell_angle_gamma                84.131(19)
_cell_formula_units_Z            2
_cell_length_a                   8.648(8)
_cell_length_b                   10.274(10)
_cell_length_c                   15.309(16)
_cell_measurement_temperature    293(2)
_cell_volume                     1286(2)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.262
_cod_database_code               8100278
Crystal structure of 5-methoxy-2,3-dihydro-7H-dibenzo[de,h]quinolin- 7-one, C~17~H~13~NO~2~
Sobarzo-Sánchez, Eduardo; Cassels, Bruce K.; Castedo, Luis; Valencia-Matarranz, Laura; Zeitschrift für Kristallographie - New Crystal Structures 218 (2003) 83–84; doi:

data_8100279
_publ_section_title
;
Crystal structure of 5-methoxy-2,3-dihydro-7H-dibenzo[de,h]quinolin-
7-one, C~17~H~13~NO~2~
;
_journal_issue                   1
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              83
_journal_page_last               84
_journal_volume                  218
_journal_year                    2003
_chemical_formula_moiety         'C17 H13 N1 O2'
_chemical_formula_structural     'C17 H13 N O2'
_chemical_formula_sum            'C17 H13 N O2'
_chemical_formula_weight         263.28
_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
_cell_angle_beta                 98.564(10)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   5.0336(5)
_cell_length_b                   13.9640(19)
_cell_length_c                   9.0254(15)
_cell_measurement_temperature    293(2)
_cell_measurement_wavelength     1.54184
_cell_volume                     627.31(15)
_diffrn_ambient_temperature      293(2)
_refine_diff_density_rms         0.054
_cod_original_sg_symbol_H-M      'P 21'
_cod_original_formula_sum        'C17 H13 N1 O2'
_cod_database_code               8100279
Crystal structure of catena-diaqua-sodium (3,6-dioxopiperazine-2-yl)- acetate, Na(H~2~O)~2~(C~6~O~4~N~2~H~7~)
Mayer, Peter; Schapp, J.; Beck, Wolfgang; Zeitschrift für Kristallographie - New Crystal Structures 218 (2003) 113–114; doi:

data_8100280
_publ_section_title
;
Crystal structure of catena-diaqua-sodium (3,6-dioxopiperazine-2-yl)-
acetate, Na(H~2~O)~2~(C~6~O~4~N~2~H~7~)
;
_journal_issue                   1
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              113
_journal_page_last               114
_journal_volume                  218
_journal_year                    2003
_chemical_formula_moiety         'Na, 2(H2 O), C6 O4 N2 H7'
_chemical_formula_structural     'Na(H2 O)2 (C6 O4 N2 H7)'
_chemical_formula_sum            'C6 H11 N2 Na O6'
_chemical_formula_weight         230.151
_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                 93.9807(12)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   13.9552(5)
_cell_length_b                   10.7372(3)
_cell_length_c                   6.2156(2)
_cell_measurement_temperature    200(2)
_cell_volume                     929.10(5)
_diffrn_ambient_temperature      200(2)
_exptl_crystal_density_diffrn    1.64538(9)
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_original_formula_sum        'C6 H11 N2 Na1 O6'
_cod_database_code               8100280
Crystal structure of chloro[1,2,3,4-(tetramethoxycarbonyl)buta-1,3- dien-1,4-diyl]-bis(triphenylphosphine)iridium(III), [Ir{C~4~(COOCH~3~) ~4~}Cl{P(C~6~H~5~)~3~}~2~]
Konkol, Marcin; Wagner, Christoph; Bruhn, Clemens; Steinborn, Dirk; Zeitschrift für Kristallographie - New Crystal Structures 218 (2003) 115–117; doi:

data_8100281
_publ_section_title
;
Crystal structure of chloro[1,2,3,4-(tetramethoxycarbonyl)buta-1,3-
dien-1,4-diyl]-bis(triphenylphosphine)iridium(III), [Ir{C~4~(COOCH~3~)
~4~}Cl{P(C~6~H~5~)~3~}~2~]
;
_journal_issue                   1
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              115
_journal_page_last               117
_journal_volume                  218
_journal_year                    2003
_chemical_formula_structural     '[Ir[C4 (COOMe)4]Cl(PPh3)2]'
_chemical_formula_sum            'C48 H42 Cl Ir O8 P2'
_chemical_formula_weight         1033.38
_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                   21.146(3)
_cell_length_b                   11.1981(17)
_cell_length_c                   18.200(4)
_cell_measurement_temperature    220(2)
_cell_volume                     4309.6(13)
_diffrn_ambient_temperature      220(2)
_exptl_crystal_density_diffrn    1.593
_cod_original_formula_sum        'C48 H42 Cl1 Ir1 O8 P2'
_cod_database_code               8100281
Crystal structure of 2,2'-diphenyl-4,4'-bithiazole, C~18~H~12~N~2~S~2~
Mahjoub, Ali Reza; Morsali, Ali; Zeitschrift für Kristallographie - New Crystal Structures 218 (2003) 121–122; doi:

data_8100282
_publ_section_title
;
Crystal structure of 2,2'-diphenyl-4,4'-bithiazole, C~18~H~12~N~2~S~2~
;
_journal_issue                   1
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              121
_journal_page_last               122
_journal_volume                  218
_journal_year                    2003
_chemical_formula_moiety         'C18 H12 N2 S2'
_chemical_formula_structural     'C18 H12 N2 S2'
_chemical_formula_sum            'C18 H12 N2 S2'
_chemical_formula_weight         320.42
_chemical_melting_point          185
_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                 90.188(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   8.8504(11)
_cell_length_b                   4.9724(6)
_cell_length_c                   16.247(2)
_cell_measurement_temperature    110(2)
_cell_volume                     714.99(15)
_diffrn_ambient_temperature      110(2)
_exptl_crystal_density_diffrn    1.488
_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               8100282