LMucko/crystallography-open-database huggingface dataset:
Lee, Hon Man; Organometallics  (2005) –; doi:

data_4060365
_journal_name_full               Organometallics
_journal_year                    2005
_chemical_formula_moiety         'C32 H30 Cl2 N2 O P2 Ru, C3 H7 N O'
_chemical_formula_sum            'C35 H37 Cl2 N3 O2 P2 Ru'
_chemical_formula_weight         765.59
_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                 95.535(8)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   13.332(7)
_cell_length_b                   12.287(6)
_cell_length_c                   20.891(10)
_cell_measurement_temperature    273(2)
_cell_volume                     3406(3)
_diffrn_ambient_temperature      273(2)
_exptl_crystal_density_diffrn    1.493
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               4060365
Lee, Hon Man; Organometallics  (2005) –; doi:

data_4060366
_journal_name_full               Organometallics
_journal_year                    2005
_chemical_formula_moiety         'C32 H30 Cl2 N2 O P2 Ru, C3 H7 N O'
_chemical_formula_sum            'C35 H37 Cl2 N3 O2 P2 Ru'
_chemical_formula_weight         765.59
_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                 95.535(8)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   13.332(7)
_cell_length_b                   12.287(6)
_cell_length_c                   20.891(10)
_cell_measurement_temperature    273(2)
_cell_volume                     3406(3)
_diffrn_ambient_temperature      273(2)
_exptl_crystal_density_diffrn    1.493
_cod_duplicate_entry             4060365
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               4060366
Hon Man Lee; Organometallics  (2005) –; doi:10.1021/om049070v

data_4060367
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om049070v
_journal_year                    2005
_chemical_formula_sum            'C352 H368 Cl16 N40 O12 P16 Ru8'
_chemical_formula_weight         7222.14
_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                 126.477(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            1
_cell_length_a                   18.8238(7)
_cell_length_b                   20.9699(8)
_cell_length_c                   29.5630(10)
_cell_measurement_temperature    150(2)
_cell_volume                     9383.4(6)
_diffrn_ambient_temperature      150(2)
_exptl_crystal_density_diffrn    1.278
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               4060367
Hon Man Lee; Organometallics  (2005) –; doi:10.1021/om049070v

data_4060368
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om049070v
_journal_year                    2005
_chemical_formula_moiety         'C31 H30 Cl3 N2 P2 Ru, C3 H7 N O'
_chemical_formula_sum            'C34 H37 Cl3 N3 O P2 Ru'
_chemical_formula_weight         773.03
_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                 95.836(19)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   13.344(5)
_cell_length_b                   12.294(5)
_cell_length_c                   20.999(9)
_cell_measurement_temperature    273(2)
_cell_volume                     3427(2)
_diffrn_ambient_temperature      273(2)
_exptl_crystal_density_diffrn    1.498
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               4060368
Hon Man Lee; Organometallics  (2005) –; doi:10.1021/om0490785

data_4060369
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om0490785
_journal_year                    2005
_chemical_formula_moiety         'C36 H28 O6 P2 Pd S2'
_chemical_formula_sum            'C36 H28 O6 P2 Pd S2'
_chemical_formula_weight         789.04
_chemical_name_common            'Complex 1a'
_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                 91.040(11)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   9.1853(7)
_cell_length_b                   17.5867(10)
_cell_length_c                   20.2249(19)
_cell_measurement_temperature    223(2)
_cell_volume                     3266.6(4)
_diffrn_ambient_temperature      223(2)
_exptl_crystal_density_diffrn    1.604
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               4060369
Hon Man Lee; Organometallics  (2005) –; doi:10.1021/om0490785

data_4060370
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om0490785
_journal_year                    2005
_chemical_formula_moiety         'C32 H35 O6 P Pd S, CH2Cl2'
_chemical_formula_sum            'C33 H37 Cl2 O6 P Pd S'
_chemical_formula_weight         769.96
_chemical_name_common            'Complex 2B'
_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                87.987(15)
_cell_angle_beta                 86.427(15)
_cell_angle_gamma                70.395(14)
_cell_formula_units_Z            2
_cell_length_a                   9.0884(11)
_cell_length_b                   10.2010(12)
_cell_length_c                   19.395(3)
_cell_measurement_temperature    293(2)
_cell_volume                     1690.4(4)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.513
_exptl_crystal_F_000             788
_refine_ls_R_factor_all          0.1213
_refine_ls_R_factor_gt           0.0826
_refine_ls_wR_factor_gt          0.2229
_refine_ls_wR_factor_ref         0.2445
_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.

'_atom_site_adp_type' value 'uani' changed to 'Uani'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29 
(28 times).

'_atom_site_adp_type' value 'uiso' changed to 'Uiso' according to
'/home/saulius/struct/CIF-dictionaries/cif_core.dic' dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29 (88 times).

'_atom_site_refinement_flags' value 'u' changed to 'U' according
to '/home/saulius/struct/CIF-dictionaries/cif_core.dic' dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29 (26 times).

'_atom_site_refinement_flags' value 'r' changed to 'R' according
to '/home/saulius/struct/CIF-dictionaries/cif_core.dic' dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29 (18 times).

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

The following automatic conversions were performed:

'_atom_site_refinement_flags' value 'pdu' changed to 'PDU' according
to the built-in table from CIF Core dictionary named 'cif_core.dic'
version 2.4.1 from 2010-06-29 (32 times).

'_atom_site_refinement_flags' value 'pr' changed to 'PR' according to
the built-in table from CIF Core dictionary named 'cif_core.dic'
version 2.4.1 from 2010-06-29 (38 times).

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_database_code               4060370
Hon Man Lee; Organometallics  (2005) –; doi:10.1021/om049081o

data_4060371
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om049081o
_journal_year                    2005
_chemical_formula_sum            'C30 H60 I2 O Ru2 S6'
_chemical_formula_weight         1085.08
_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                 112.007(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   12.3223(8)
_cell_length_b                   12.7391(9)
_cell_length_c                   14.4202(10)
_cell_measurement_temperature    223(2)
_cell_volume                     2098.7(2)
_diffrn_ambient_temperature      223(2)
_exptl_crystal_density_diffrn    1.717
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               4060371
Hon Man Lee; Organometallics  (2005) –; doi:10.1021/om049081o

data_4060372
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om049081o
_journal_year                    2005
_chemical_formula_sum            'C36 H62 F12 N2 P2 Ru2 S6'
_chemical_formula_weight         1207.32
_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                69.816(2)
_cell_angle_beta                 69.704(2)
_cell_angle_gamma                66.951(2)
_cell_formula_units_Z            1
_cell_length_a                   9.7797(12)
_cell_length_b                   12.2045(15)
_cell_length_c                   12.4609(15)
_cell_measurement_temperature    223(2)
_cell_volume                     1245.3(3)
_diffrn_ambient_temperature      223(2)
_exptl_crystal_density_diffrn    1.610
_cod_database_code               4060372
Hon Man Lee; Organometallics  (2005) –; doi:10.1021/om049081o

data_4060373
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om049081o
_journal_year                    2005
_chemical_formula_sum            'C16 H29 F6 P Ru S3'
_chemical_formula_weight         563.61
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 100.6460(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   12.4228(2)
_cell_length_b                   9.0810(2)
_cell_length_c                   19.9557(4)
_cell_measurement_temperature    223(2)
_cell_volume                     2212.48(7)
_diffrn_ambient_temperature      223(2)
_exptl_crystal_density_diffrn    1.692
_exptl_crystal_density_meas      0
_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               4060373
Hon Man Lee; Organometallics  (2005) –; doi:10.1021/om049081o

data_4060374
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om049081o
_journal_year                    2005
_chemical_formula_sum            'C19 H29 I N2 Ru S3'
_chemical_formula_weight         609.59
_space_group_IT_number           62
_symmetry_cell_setting           orthorhombic
_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                   28.5808(8)
_cell_length_b                   8.5395(2)
_cell_length_c                   9.5463(3)
_cell_measurement_temperature    223(2)
_cell_volume                     2329.92(11)
_diffrn_ambient_temperature      223(2)
_exptl_crystal_density_diffrn    1.738
_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               4060374
Hon Man Lee; Organometallics  (2005) –; doi:10.1021/om049081o

data_4060375
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om049081o
_journal_year                    2005
_chemical_formula_sum            'C28 H46 I6 Ru2 S6'
_chemical_formula_weight         1538.55
_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                 103.237(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   12.0847(8)
_cell_length_b                   13.1360(9)
_cell_length_c                   14.0009(10)
_cell_measurement_temperature    297(2)
_cell_volume                     2163.5(3)
_diffrn_ambient_temperature      297(2)
_exptl_crystal_density_diffrn    2.362
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               4060375
Hon Man Lee; Organometallics  (2005) –; doi:10.1021/om049081o

data_4060376
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om049081o
_journal_year                    2005
_chemical_formula_sum            'C29 H49 I Ru2 S6'
_chemical_formula_weight         919.08
_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                 106.323(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   11.7001(11)
_cell_length_b                   21.831(2)
_cell_length_c                   14.0132(14)
_cell_measurement_temperature    223(2)
_cell_volume                     3435.0(6)
_diffrn_ambient_temperature      223(2)
_exptl_crystal_density_diffrn    1.777
_exptl_crystal_density_meas      0
_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               4060376
Hon Man Lee; Organometallics  (2005) –; doi:10.1021/om049081o

data_4060377
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om049081o
_journal_year                    2005
_chemical_formula_sum            'C15 H26 Ru S3'
_chemical_formula_weight         403.61
_space_group_IT_number           8
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  'C -2y'
_symmetry_space_group_name_H-M   'C 1 m 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 122.452(4)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   8.940(2)
_cell_length_b                   14.049(3)
_cell_length_c                   8.0857(18)
_cell_measurement_temperature    223(2)
_cell_volume                     857.0(3)
_diffrn_ambient_temperature      223(2)
_exptl_crystal_density_diffrn    1.564
_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      'C m'
_cod_database_code               4060377
Hon Man Lee; Organometallics  (2005) –; doi:10.1021/om049081o

data_4060378
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om049081o
_journal_year                    2005
_chemical_formula_sum            'C27 H53 F6 P Ru S3 Sn'
_chemical_formula_weight         838.60
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 100.160(8)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   11.143(4)
_cell_length_b                   25.756(8)
_cell_length_c                   12.561(4)
_cell_measurement_temperature    223(2)
_cell_volume                     3548(2)
_diffrn_ambient_temperature      223(2)
_exptl_crystal_density_diffrn    1.570
_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               4060378
Hon Man Lee; Organometallics  (2005) –; doi:10.1021/om049086l

data_4060379
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om049086l
_journal_year                    2005
_chemical_absolute_configuration ad
_chemical_formula_sum            'C85 H72 Cl6 Fe2 P4 Ru2'
_chemical_formula_weight         1743.85
_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                 109.0530(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   11.4543(3)
_cell_length_b                   24.8203(6)
_cell_length_c                   14.0568(2)
_cell_measurement_temperature    293(2)
_cell_volume                     3777.40(14)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.533
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_sg_symbol_H-M      'P 21'
_cod_database_code               4060379
Hon Man Lee; Organometallics  (2005) –; doi:10.1021/om049086l

data_4060380
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om049086l
_journal_year                    2005
_chemical_absolute_configuration ad
_chemical_formula_sum            'C43.5 H37 Cl1.5 Cu F3 Fe N O2 P2 Ru Sb0.5'
_chemical_formula_weight         1059.19
_space_group_IT_number           4
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  'P 2yb'
_symmetry_space_group_name_H-M   'P 1 21 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 94.7640(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   14.0106(3)
_cell_length_b                   12.4532(3)
_cell_length_c                   24.152
_cell_measurement_temperature    293(2)
_cell_volume                     4199.42(14)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.675
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_sg_symbol_H-M      'P 21'
_cod_original_formula_sum
'C43.50 H37 Cl1.50 Cu F3 Fe N O2 P2 Ru Sb0.50'
_cod_database_code               4060380
2,3-Benzo-7-phosphanorbornadiene Complexes: Synthesis and Chemistry
Compain, Carine; Donnadieu, Bruno; Mathey, François; Organometallics 24 (2005) 1762–1765; doi:10.1021/om049089y

data_4060381
_publ_section_title
;
2,3-Benzo-7-phosphanorbornadiene Complexes: Synthesis and Chemistry
;
_journal_issue                   7
_journal_name_full               Organometallics
_journal_page_first              1762
_journal_page_last               1765
_journal_paper_doi               10.1021/om049089y
_journal_volume                  24
_journal_year                    2005
_chemical_formula_sum            'C23 H17 Mo O5 P'
_chemical_formula_weight         500.28
_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                102.467(12)
_cell_angle_beta                 95.424(13)
_cell_angle_gamma                103.508(12)
_cell_formula_units_Z            2
_cell_length_a                   9.122(5)
_cell_length_b                   9.217(5)
_cell_length_c                   14.069(8)
_cell_measurement_temperature    180(2)
_cell_volume                     1109.8(11)
_diffrn_ambient_temperature      180(2)
_exptl_crystal_density_diffrn    1.497
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_database_code               4060381
2,3-Benzo-7-phosphanorbornadiene Complexes: Synthesis and Chemistry
Compain, Carine; Donnadieu, Bruno; Mathey, François; Organometallics 24 (2005) 1762–1765; doi:10.1021/om049089y

data_4060382
_publ_section_title
;
2,3-Benzo-7-phosphanorbornadiene Complexes: Synthesis and Chemistry
;
_journal_issue                   7
_journal_name_full               Organometallics
_journal_page_first              1762
_journal_page_last               1765
_journal_paper_doi               10.1021/om049089y
_journal_volume                  24
_journal_year                    2005
_chemical_formula_sum            'C12 H15 P S2'
_chemical_formula_weight         254.33
_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                 95.682(5)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   11.5733(12)
_cell_length_b                   6.8944(7)
_cell_length_c                   15.7794(16)
_cell_measurement_temperature    100(2)
_cell_volume                     1252.9(2)
_diffrn_ambient_temperature      100(2)
_exptl_crystal_density_diffrn    1.348
_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               4060382