LMucko/crystallography-open-database huggingface dataset:
Bis(diphenylphosphino)methanetetradecacarbonylhexairidium Dichloromethane Solvate
Mazzanti, Marinella; Roulet, Raymond; Schenk, Kurt J.; Acta Crystallographica Section C 51 (1995) 217–219; doi:

data_2010485
_publ_section_title
;
Bis(diphenylphosphino)methanetetradecacarbonylhexairidium Dichloromethane
 Solvate
;
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              217
_journal_page_last               219
_journal_volume                  51
_journal_year                    1995
_chemical_formula_moiety         'C39 H22 Ir6 O14 P2, C H2 Cl2'
_chemical_formula_sum            'C40 H24 Cl2 Ir6 O14 P2'
_chemical_formula_weight         2014.4
_space_group_IT_number           11
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yb'
_symmetry_space_group_name_H-M   'P 1 21/m 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 96.32(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   11.144(3)
_cell_length_b                   15.667(4)
_cell_length_c                   13.048(5)
_cell_measurement_temperature    140(2)
_cell_volume                     2264.2(12)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    2.952
_refine_ls_R_factor_obs          0.0951
_refine_ls_wR_factor_obs         0.2013
_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/m'
_cod_database_code               2010485
Bis(hexadecylpyridinium) Bis(3,6-dichloro-4,5- dihydroxy-3,5-cyclohexadiene-1,2-dionato-κ^2^O^4^,O^5^)]beryllium
Burzlaff, Hans; Lange, Joachim; Spengler, Roland; Karayannis, M.I.; Veltsistas, P.G.; Acta Crystallographica Section C 51 (1995) 190–193; doi:

data_2010488
_publ_section_title
;
 Bis(hexadecylpyridinium) Bis(3,6-dichloro-4,5-
dihydroxy-3,5-cyclohexadiene-1,2-dionato-\k^2^O^4^,O^5^)]beryllium
;
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              190
_journal_page_last               193
_journal_volume                  51
_journal_year                    1995
_chemical_formula_structural     ' 2C21 H38 N [Be(C6 Cl2 O4)2]'
_chemical_formula_sum            'C54 H76 Be Cl4 N2 O8'
_chemical_formula_weight         1032.03
_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                85.981(3)
_cell_angle_beta                 80.177(3)
_cell_angle_gamma                78.517(3)
_cell_formula_units_Z            2
_cell_length_a                   10.3254(3)
_cell_length_b                   11.2915(2)
_cell_length_c                   25.0237(5)
_cell_measurement_temperature    293
_cell_volume                     2815.2(4)
_diffrn_ambient_temperature      293
_exptl_crystal_density_diffrn    1.217
_refine_ls_R_factor_obs          0.068
_refine_ls_wR_factor_obs         0.032
_cod_original_formula_sum        'C54 H76 Be1 Cl4 N2 O8'
_cod_database_code               2010488
_cod_duplicate_entry 2003214
Tetraethylammonium Tetramethylammonium Tetrachlorozincate(II), [(C~2~H~5~)~4~N][(CH~3~)~4~N]ZnCl~4~
Caëtano, Odile; Lapasset, Jacques; Saint Grégoire, Pierre; Acta Crystallographica Section C 51 (1995) 220–222; doi:

data_2010489
_publ_section_title
;
Tetraethylammonium Tetramethylammonium
Tetrachlorozincate(II),
[(C~2~H~5~)~4~N][(CH~3~)~4~N]ZnCl~4~
;
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              220
_journal_page_last               222
_journal_volume                  51
_journal_year                    1995
_chemical_formula_structural     '[N (C2 H5 )4 ] [N (C H3 )4 ] Zn Cl4'
_chemical_formula_sum            'C12 H32 Cl4 N2 Zn'
_chemical_formula_weight         411.61
_space_group_IT_number           113
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_Hall  'P -4 2ab'
_symmetry_space_group_name_H-M   'P -4 21 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   13.087(2)
_cell_length_b                   13.087(2)
_cell_length_c                   11.7930(10)
_cell_measurement_temperature    298
_cell_volume                     2019.8(5)
_diffrn_ambient_temperature      298
_exptl_crystal_density_diffrn    1.353
_refine_ls_R_factor_obs          0.041
_refine_ls_wR_factor_obs         0.042
_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_original_formula_sum        'C12 H32 Cl4 N2 Zn1'
_cod_database_code               2010489
_cod_duplicate_entry 2003215
(E,E)-4-[3-(3,5-Dichloro-2-hydroxyphenylazo)-2-morpholino-2-butenoyl]morpholine
Ramm, Matthias; Baumann, Hendrik; Kirschke, Klaus; Acta Crystallographica Section C 51 (1995) 277–279; doi:

data_2010497
_publ_section_title
;
(E,E)-4-[3-(3,5-Dichloro-2-hydroxyphenylazo)-2-morpholino-2-butenoyl]morpholine
;
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              277
_journal_page_last               279
_journal_volume                  51
_journal_year                    1995
_chemical_formula_moiety         'C18 H22 Cl2 N4 O4'
_chemical_formula_sum            'C18 H22 Cl2 N4 O4'
_chemical_formula_weight         429.30
_chemical_melting_point          349.6(15)
_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                 105.990(10)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   14.9821(9)
_cell_length_b                   5.9131(7)
_cell_length_c                   23.502(2)
_cell_measurement_temperature    298
_cell_volume                     2001.6(3)
_diffrn_ambient_temperature      298
_exptl_crystal_density_diffrn    1.424
_refine_ls_R_factor_obs          0.037
_refine_ls_wR_factor_obs         0.059
_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 

The following automatic conversions were performed:

'_chemical_melting_point' value '75 -78_C' was changed to '349.6(15)'
- it was converted from degrees Celsius(C) to Kelvins(K), 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/n'
_cod_database_code               2010497
_cod_duplicate_entry 2003217
Hexaethyl (3,5-Di-tert-butyl-4-hydroxyphenyl)methanetrisphosphonate at 173 K
Ramm, Matthias; Costisella, Burkhard; Gross,Hans; Acta Crystallographica Section C 51 (1995) 274–277; doi:

data_2010498
_publ_section_title
;
 Hexaethyl (3,5-Di-tert-butyl-4-hydroxyphenyl)methanetrisphosphonate
 at 173 K
;
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              274
_journal_page_last               277
_journal_volume                  51
_journal_year                    1995
_chemical_formula_moiety         'C27 H51 O10 P3'
_chemical_formula_sum            'C27 H51 O10 P3'
_chemical_formula_weight         628.52
_chemical_melting_point          437.6(5)
_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                 102.600(10)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   17.383(3)
_cell_length_b                   9.5380(10)
_cell_length_c                   20.056(3)
_cell_measurement_temperature    173
_cell_volume                     3245.2(8)
_diffrn_ambient_temperature      173
_exptl_crystal_density_diffrn    1.287
_refine_ls_R_factor_obs          0.037
_refine_ls_wR_factor_obs         0.050
_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 

The following automatic conversions were performed:

'_chemical_melting_point' value '164 - 165_C' was changed to
'437.6(5)' - it was converted from degrees Celsius(C) to Kelvins(K),
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/c'
_cod_database_code               2010498
_cod_duplicate_entry 2003218
Potassium oxoaluminate antimonate(III), K~2~[Al~2~Sb~2~O~7~]
Hirschle, Christian; Röhr, Caroline; Acta Crystallographica, Section C 56 (2000) 05–06; doi:10.1107/S0108270199012184

data_2010514
_publ_section_title
;
Potassium oxoaluminate antimonate(III), K~2~[Al~2~Sb~2~O~7~]
;
_journal_name_full               'Acta Crystallographica, Section C'
_journal_page_first              05
_journal_page_last               06
_journal_paper_doi               10.1107/S0108270199012184
_journal_volume                  56
_journal_year                    2000
_chemical_formula_iupac          'K2 [Al2 Sb2 O7]'
_chemical_formula_sum            'Al2 K2 O7 Sb2'
_chemical_formula_weight         487.66
_space_group_IT_number           164
_symmetry_cell_setting           trigonal
_symmetry_space_group_name_Hall  '-P 3 2"'
_symmetry_space_group_name_H-M   'P -3 m 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                120.00
_cell_formula_units_Z            1
_cell_length_a                   5.6325(8)
_cell_length_b                   5.6325(8)
_cell_length_c                   8.045(2)
_cell_measurement_temperature    293(2)
_cell_volume                     221.04(7)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    3.664
_cod_database_code               2010514
Rb~4~Zr~3~Te~16~, a one-dimensional zirconium telluride synthesized from molten salt
Anderson, Ashley B.; Wang, Ru-Ji; Li, Jing; Acta Crystallographica, Section C 56 (2000) 02–04; doi:10.1107/S0108270199011956

data_2010515
_publ_section_title
;
Rb~4~Zr~3~Te~16~, a one-dimensional zirconium telluride synthesized
from molten salt
;
_journal_name_full               'Acta Crystallographica, Section C'
_journal_page_first              02
_journal_page_last               04
_journal_paper_doi               10.1107/S0108270199011956
_journal_volume                  56
_journal_year                    2000
_chemical_formula_moiety         'Rb4 Zr3 Te16'
_chemical_formula_sum            'Rb4 Te16 Zr3'
_chemical_formula_weight         2657.14
_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                 102.79(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   11.982(2)
_cell_length_b                   18.613(4)
_cell_length_c                   15.078(3)
_cell_measurement_temperature    293(2)
_cell_volume                     3279.3(11)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    5.382
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               2010515
Dimeric copper(II) 3,3-dimethylbutyrate adducts with ethanol, 2-methylpyridine, 3-methylpyridine, 4-methylpyridine and 3,3-dimethylbutyric acid
Goto, Masato; Kani, Yoshiyuki; Tsuchimoto, Masanobu; Ohba, Shigeru; Matsushima, Hideaki; Tokii, Tadashi; Acta Crystallographica, Section C: Crystal Structure Communications 56 (2000) 7–11; doi:10.1107/s0108270199012172

data_2010549
_publ_section_title
;
 Dimeric copper(II) 3,3-dimethylbutyrate adducts with ethanol,
 2-methylpyridine, 3-methylpyridine, 4-methylpyridine and
 3,3-dimethylbutyric acid
;
_journal_coden_ASTM              ACSCEE
_journal_issue                   1
_journal_name_full
;
 Acta Crystallographica, Section C: Crystal Structure Communications
;
_journal_page_first              7
_journal_page_last               11
_journal_paper_doi               10.1107/s0108270199012172
_journal_volume                  56
_journal_year                    2000
_chemical_formula_iupac          '[Cu2 (C6 H11 O2)4 (C6 H7 N1)2 ]'
_chemical_formula_moiety         'C36 H58 Cu2 N2 O8'
_chemical_formula_structural     'Cu2 (C6 H11 O2)4 (C6 H7 N1)2'
_chemical_formula_sum            'C36 H58 Cu2 N2 O8'
_chemical_formula_weight         773.96
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yab'
_symmetry_space_group_name_H-M   'P 1 21/a 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 109.160(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   10.040(2)
_cell_length_b                   18.4680(10)
_cell_length_c                   11.6490(10)
_cell_measurement_temperature    299
_cell_volume                     2040.3(4)
_exptl_crystal_density_diffrn    1.260
_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 

The following automatic conversions were performed:

'_atom_site_thermal_displace_type' tag value 'Uij' was replaced with
'Uani' value 24 times.

Automatic conversion script
Id: cif_fix_values 1646 2011-03-28 12:23:43Z adriana 
;
_cod_original_sg_symbol_H-M      'P 21/a'
_cod_database_code               2010549
Dimeric copper(II) 3,3-dimethylbutyrate adducts with ethanol, 2-methylpyridine, 3-methylpyridine, 4-methylpyridine and 3,3-dimethylbutyric acid
Goto, Masato; Kani, Yoshiyuki; Tsuchimoto, Masanobu; Ohba, Shigeru; Matsushima, Hideaki; Tokii, Tadashi; Acta Crystallographica, Section C: Crystal Structure Communications 56 (2000) 7–11; doi:10.1107/s0108270199012172

data_2010550
_publ_section_title
;
 Dimeric copper(II) 3,3-dimethylbutyrate adducts with ethanol,
 2-methylpyridine, 3-methylpyridine, 4-methylpyridine and
 3,3-dimethylbutyric acid
;
_journal_coden_ASTM              ACSCEE
_journal_issue                   1
_journal_name_full
;
 Acta Crystallographica, Section C: Crystal Structure Communications
;
_journal_page_first              7
_journal_page_last               11
_journal_paper_doi               10.1107/s0108270199012172
_journal_volume                  56
_journal_year                    2000
_chemical_formula_iupac          '[Cu2 (C6 H11 O2)4 (C6 H7 N1)2 ]'
_chemical_formula_moiety         'C36 H58 Cu2 N2 O8'
_chemical_formula_sum            'C36 H58 Cu2 N2 O8'
_chemical_formula_weight         773.96
_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                105.800(10)
_cell_angle_beta                 101.010(10)
_cell_angle_gamma                63.110(10)
_cell_formula_units_Z            1
_cell_length_a                   10.603(2)
_cell_length_b                   11.216(2)
_cell_length_c                   10.2890(10)
_cell_measurement_temperature    299
_cell_volume                     1046.7(3)
_exptl_crystal_density_diffrn    1.228
_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 

The following automatic conversions were performed:

'_atom_site_thermal_displace_type' tag value 'Uij' was replaced with
'Uani' value 24 times.

Automatic conversion script
Id: cif_fix_values 1646 2011-03-28 12:23:43Z adriana 
;
_cod_database_code               2010550
Dimeric copper(II) 3,3-dimethylbutyrate adducts with ethanol, 2-methylpyridine, 3-methylpyridine, 4-methylpyridine and 3,3-dimethylbutyric acid
Goto, Masato; Kani, Yoshiyuki; Tsuchimoto, Masanobu; Ohba, Shigeru; Matsushima, Hideaki; Tokii, Tadashi; Acta Crystallographica, Section C: Crystal Structure Communications 56 (2000) 7–11; doi:10.1107/s0108270199012172

data_2010551
_publ_section_title
;
 Dimeric copper(II) 3,3-dimethylbutyrate adducts with ethanol,
 2-methylpyridine, 3-methylpyridine, 4-methylpyridine and
 3,3-dimethylbutyric acid
;
_journal_coden_ASTM              ACSCEE
_journal_issue                   1
_journal_name_full
;
 Acta Crystallographica, Section C: Crystal Structure Communications
;
_journal_page_first              7
_journal_page_last               11
_journal_paper_doi               10.1107/s0108270199012172
_journal_volume                  56
_journal_year                    2000
_chemical_formula_iupac          '[Cu2 (C6 H11 O2)4 (C6 H7 N1)2]'
_chemical_formula_moiety         'C36 H58 Cu2 N2 O8'
_chemical_formula_sum            'C36 H58 Cu2 N2 O8'
_chemical_formula_weight         773.96
_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                90.440(10)
_cell_angle_beta                 101.400(10)
_cell_angle_gamma                74.800(10)
_cell_formula_units_Z            2
_cell_length_a                   11.346(2)
_cell_length_b                   18.584(3)
_cell_length_c                   10.606(2)
_cell_measurement_temperature    297
_cell_volume                     2113.2(6)
_exptl_crystal_density_diffrn    1.216
_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 

The following automatic conversions were performed:

'_atom_site_thermal_displace_type' tag value 'Uij' was replaced with
'Uani' value 48 times.

Automatic conversion script
Id: cif_fix_values 1646 2011-03-28 12:23:43Z adriana 
;
_cod_database_code               2010551
Dimeric copper(II) 3,3-dimethylbutyrate adducts with ethanol, 2-methylpyridine, 3-methylpyridine, 4-methylpyridine and 3,3-dimethylbutyric acid
Goto, Masato; Kani, Yoshiyuki; Tsuchimoto, Masanobu; Ohba, Shigeru; Matsushima, Hideaki; Tokii, Tadashi; Acta Crystallographica, Section C: Crystal Structure Communications 56 (2000) 7–11; doi:10.1107/s0108270199012172

data_2010552
_publ_section_title
;
 Dimeric copper(II) 3,3-dimethylbutyrate adducts with ethanol,
 2-methylpyridine, 3-methylpyridine, 4-methylpyridine and
 3,3-dimethylbutyric acid
;
_journal_coden_ASTM              ACSCEE
_journal_issue                   1
_journal_name_full
;
 Acta Crystallographica, Section C: Crystal Structure Communications
;
_journal_page_first              7
_journal_page_last               11
_journal_paper_doi               10.1107/s0108270199012172
_journal_volume                  56
_journal_year                    2000
_chemical_formula_iupac          '[Cu2 (C6 H11 O2)4 (C6 H12 O2)2]'
_chemical_formula_moiety         'C36 H68 Cu2 O12'
_chemical_formula_sum            'C36 H68 Cu2 O12'
_chemical_formula_weight         820.02
_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                 103.980(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   10.890(2)
_cell_length_b                   18.211(2)
_cell_length_c                   11.7870(10)
_cell_measurement_temperature    297
_cell_volume                     2268.2(5)
_exptl_crystal_density_diffrn    1.201
_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 

The following automatic conversions were performed:

'_atom_site_thermal_displace_type' tag value 'Uij' was replaced with
'Uani' value 25 times.

Automatic conversion script
Id: cif_fix_values 1646 2011-03-28 12:23:43Z adriana 
;
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               2010552
trans-Dichlorobis(triphenylphosphine-P)platinum(II)
Johansson, Maria H.; Otto, Stefanus; Acta Crystallographica, Section C 56 (2000) e12–e15; doi:10.1107/S010827019901608X

data_2010565
_publ_section_title
;
trans-Dichlorobis(triphenylphosphine-P)platinum(II)
;
_journal_name_full               'Acta Crystallographica, Section C'
_journal_page_first              e12
_journal_page_last               e15
_journal_paper_doi               10.1107/S010827019901608X
_journal_volume                  56
_journal_year                    2000
_chemical_formula_iupac          '[Pt Cl2 (C18 H15 P)2]'
_chemical_formula_moiety         '[Pt Cl~2~{P(C~6~H~5~)~3~}~2~]'
_chemical_formula_sum            'C36 H30 Cl2 P2 Pt'
_chemical_formula_weight         790.53
_chemical_name_common
Trans-dichlorobis(triphenylphosphine-P)platinum(II)
_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                72.44(3)
_cell_angle_beta                 88.50(3)
_cell_angle_gamma                68.19(3)
_cell_formula_units_Z            1
_cell_length_a                   9.1857(18)
_cell_length_b                   9.6334(19)
_cell_length_c                   10.379(2)
_cell_measurement_temperature    293(2)
_cell_volume                     809.1(3)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.622
_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.

'_geom_bond_publ_flag' value 'Yes' changed to 'yes' according
to '/home/saulius/struct/CIF-dictionaries/cif_core.dic' dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29 (5 times).

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_database_code               2010565