LMucko/crystallography-open-database huggingface dataset:
; Organometallics  (2004) –; doi:10.1021/om0496683

data_4062806
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om0496683
_journal_year                    2004
_chemical_formula_sum            'C52 H49 Br O P2 Pd S'
_chemical_formula_weight         970.22
_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                 101.376(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   17.8954(12)
_cell_length_b                   12.4133(8)
_cell_length_c                   20.4354(14)
_cell_measurement_temperature    143(2)
_cell_volume                     4450.4(5)
_diffrn_ambient_temperature      143(2)
_exptl_crystal_density_diffrn    1.448
_cod_depositor_comments
;
The following automatic conversions were performed:
'_geom_bond_publ_flag' value 'Y' changed to 'y' 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 
;
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               4062806
; Organometallics  (2004) –; doi:10.1021/om049670u

data_4062807
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om049670u
_journal_year                    2004
_chemical_formula_moiety         ' C30 H48 Li1 N1 O1 P2 '
_chemical_formula_sum            'C30 H48 Li N O P2'
_chemical_formula_weight         507.61
_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
_cell_angle_beta                 103.126(13)
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   39.230(5)
_cell_length_b                   9.6657(13)
_cell_length_c                   17.041(3)
_cell_measurement_temperature    294
_cell_volume                     6292.8(16)
_diffrn_ambient_temperature      294
_exptl_crystal_density_diffrn    1.072
_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 2/c'
_cod_original_formula_sum        ' C30 H48 Li1 N1 O1 P2 '
_cod_database_code               4062807
; Organometallics  (2004) –; doi:10.1021/om049670u

data_4062808
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om049670u
_journal_year                    2004
_chemical_formula_moiety         ' C29 H49 N1 P2 Zr1 '
_chemical_formula_sum            'C29 H49 N P2 Zr'
_chemical_formula_weight         564.88
_space_group_IT_number           60
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2n 2ab'
_symmetry_space_group_name_H-M   'P b c n'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   23.8250(19)
_cell_length_b                   14.1571(9)
_cell_length_c                   18.2978(13)
_cell_measurement_temperature    294
_cell_volume                     6171.7(8)
_diffrn_ambient_temperature      294
_exptl_crystal_density_diffrn    1.216
_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_original_formula_sum        ' C29 H49 N1 P2 Zr1 '
_cod_database_code               4062808
A Heterobimetallic Rh(I)-Ru(II) Catalyst for the Oppenauer-Type Oxidation of Primary and Secondary Alcohols Under Mild Conditions
Gauthier, Sébastien; Scopelliti, Rosario; Severin, Kay; Organometallics  (2004) –; doi:10.1021/om049671m

data_4062809
_publ_section_title
;
A Heterobimetallic Rh(I)-Ru(II) Catalyst for the Oppenauer-Type Oxidation
of Primary and Secondary Alcohols Under Mild Conditions
;
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om049671m
_journal_year                    2004
_chemical_formula_moiety
'C68 H56 Cl3 O2 P2 Rh Ru, C3 H6 O, 0.5(C H2 Cl2)'
_chemical_formula_sum            'C71.5 H63 Cl4 O3 P2 Rh Ru'
_chemical_formula_weight         1377.94
_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                 101.74(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   13.620(4)
_cell_length_b                   21.2001(15)
_cell_length_c                   22.096(6)
_cell_measurement_temperature    140(2)
_cell_volume                     6246(3)
_diffrn_ambient_temperature      140(2)
_exptl_crystal_density_diffrn    1.465
_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_original_formula_sum        'C71.50 H63 Cl4 O3 P2 Rh Ru'
_cod_database_code               4062809
; Organometallics  (2004) –; doi:10.1021/om049675r

data_4062810
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om049675r
_journal_year                    2004
_chemical_formula_sum            'C32 H30 Cl2 Cr2 F10'
_chemical_formula_weight         779.46
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 95.474(5)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   14.113(4)
_cell_length_b                   15.617(4)
_cell_length_c                   29.042(7)
_cell_measurement_temperature    110(2)
_cell_volume                     6372(3)
_diffrn_ambient_temperature      110(2)
_exptl_crystal_density_diffrn    1.625
_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               4062810
; Organometallics  (2004) –; doi:10.1021/om049675r

data_4062811
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om049675r
_journal_year                    2004
_chemical_formula_sum            'C34 H36 Cr2 F10'
_chemical_formula_weight         738.62
_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                 98.197(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   9.6564(18)
_cell_length_b                   11.053(2)
_cell_length_c                   14.406(3)
_cell_measurement_temperature    110
_cell_volume                     1521.9(5)
_diffrn_ambient_temperature      110
_exptl_crystal_density_diffrn    1.612
_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               4062811
; Organometallics  (2004) –; doi:10.1021/om049675r

data_4062812
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om049675r
_journal_year                    2004
_chemical_formula_sum            'C22 H23 Cr F5 N'
_chemical_formula_weight         448.41
_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                105.477(7)
_cell_angle_beta                 109.348(7)
_cell_angle_gamma                102.192(7)
_cell_length_a                   11.229(4)
_cell_length_b                   13.255(5)
_cell_length_c                   16.119(6)
_cell_measurement_temperature    293(2)
_cell_volume                     2059.8(13)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.446
_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_sg_symbol_H-M      'P 1'
_cod_database_code               4062812
(p-cymene)Ruthenium(II)(diphenylphosphino)alkyne Complexes: Preparation of (m-Cl)(m-PPh2CCR) Bridged Ru/Pt Heterobimetallic Complexes.
Jess R. Berenguer; Mara Bernechea; Juan Fornis; Ana Garca; Elena Lalinde; Organometallics  (2004) –; doi:10.1021/om049676j

data_4062813
_publ_section_title
;
(p-cymene)Ruthenium(II)(diphenylphosphino)alkyne Complexes: Preparation
of (m-Cl)(m-PPh2CCR) Bridged Ru/Pt Heterobimetallic Complexes.
;
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om049676j
_journal_year                    2004
_chemical_formula_sum            'C31 H31 Cl2 P Ru'
_chemical_formula_weight         606.5
_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                94.2310(10)
_cell_angle_beta                 100.5360(10)
_cell_angle_gamma                99.1860(10)
_cell_formula_units_Z            2
_cell_length_a                   9.3190(2)
_cell_length_b                   11.7550(2)
_cell_length_c                   12.9270(3)
_cell_measurement_temperature    173.0(10)
_cell_volume                     1366.60(5)
_diffrn_ambient_temperature      173.0(10)
_exptl_crystal_density_diffrn    1.474
_cod_database_code               4062813
(p-cymene)Ruthenium(II)(diphenylphosphino)alkyne Complexes: Preparation of (m-Cl)(m-PPh2CCR) Bridged Ru/Pt Heterobimetallic Complexes.
Jess R. Berenguer; Mara Bernechea; Juan Fornis; Ana Garca; Elena Lalinde; Organometallics  (2004) –; doi:10.1021/om049676j

data_4062814
_publ_section_title
;
(p-cymene)Ruthenium(II)(diphenylphosphino)alkyne Complexes: Preparation
of (m-Cl)(m-PPh2CCR) Bridged Ru/Pt Heterobimetallic Complexes.
;
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om049676j
_journal_year                    2004
_chemical_formula_sum            'C47 H52 Cl F3 O3 P2 Ru S'
_chemical_formula_weight         952.41
_space_group_IT_number           33
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'P -2n -2ac'
_symmetry_space_group_name_H-M   'P c 21 n'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   15.5177(2)
_cell_length_b                   16.8310(3)
_cell_length_c                   17.4242(3)
_cell_measurement_temperature    223.0(10)
_cell_volume                     4550.82(13)
_diffrn_ambient_temperature      223.0(10)
_exptl_crystal_density_diffrn    1.39
_cod_database_code               4062814
(p-cymene)Ruthenium(II)(diphenylphosphino)alkyne Complexes: Preparation of (m-Cl)(m-PPh2CCR) Bridged Ru/Pt Heterobimetallic Complexes.
Jess R. Berenguer; Mara Bernechea; Juan Fornis; Ana Garca; Elena Lalinde; Organometallics  (2004) –; doi:10.1021/om049676j

data_4062815
_publ_section_title
;
(p-cymene)Ruthenium(II)(diphenylphosphino)alkyne Complexes: Preparation
of (m-Cl)(m-PPh2CCR) Bridged Ru/Pt Heterobimetallic Complexes.
;
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om049676j
_journal_year                    2004
_chemical_formula_sum            'C43 H39 Cl2 F10 O P Pt Ru'
_chemical_formula_weight         1159.77
_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                   12.9120(2)
_cell_length_b                   14.1900(2)
_cell_length_c                   23.1560(5)
_cell_measurement_temperature    173.0(10)
_cell_volume                     4242.67(13)
_diffrn_ambient_temperature      173.0(10)
_exptl_crystal_density_diffrn    1.816
_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               4062815
(p-cymene)Ruthenium(II)(diphenylphosphino)alkyne Complexes: Preparation of (μ-Cl)(μ-PPh2CCR) Bridged Ru/Pt Heterobimetallic Complexes.
Berenguer, Jesús R.; Bernechea, María; Forniés, Juan; García, Ana; Lalinde, Elena; Organometallics 23 (2004) 4288–4300; doi:10.1021/om049676j

data_4062816
_publ_section_title
;
(p-cymene)Ruthenium(II)(diphenylphosphino)alkyne Complexes: Preparation
of (\m-Cl)(\m-PPh2CCR) Bridged Ru/Pt Heterobimetallic Complexes.
;
_journal_issue                   18
_journal_name_full               Organometallics
_journal_page_first              4288
_journal_page_last               4300
_journal_paper_doi               10.1021/om049676j
_journal_volume                  23
_journal_year                    2004
_chemical_formula_sum            'C67 H50 Cl7 F13 O3 P2 Pt Ru S'
_chemical_formula_weight         1788.38
_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                90.2420(10)
_cell_angle_beta                 91.8630(10)
_cell_angle_gamma                103.8720(10)
_cell_formula_units_Z            2
_cell_length_a                   12.35700(10)
_cell_length_b                   14.3450(2)
_cell_length_c                   19.7060(3)
_cell_measurement_temperature    223.0(10)
_cell_volume                     3389.17(8)
_diffrn_ambient_temperature      223.0(10)
_exptl_crystal_density_diffrn    1.752
_cod_database_code               4062816
; Organometallics  (2004) –; doi:10.1021/om049695t

data_4062817
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om049695t
_journal_year                    2004
_chemical_formula_moiety         C26H44Si5
_chemical_formula_sum            'C26 H44 Si5'
_chemical_formula_weight         497.06
_chemical_melting_point          87.5(5)
_chemical_name_common            anti,anti-diphenylpentasilane
_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                102.822(6)
_cell_angle_beta                 101.906(5)
_cell_angle_gamma                101.894(7)
_cell_formula_units_Z            4
_cell_length_a                   13.932(6)
_cell_length_b                   14.868(7)
_cell_length_c                   15.725(7)
_cell_measurement_temperature    173(2)
_cell_volume                     2997(2)
_diffrn_ambient_temperature      173(2)
_exptl_crystal_density_diffrn    1.101
_cod_depositor_comments
;
The following automatic conversions were performed:

'_chemical_melting_point' value '87-88' was changed to '87.5(5)' -
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_database_code               4062817
; Organometallics  (2004) –; doi:10.1021/om049696l

data_4062818
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om049696l
_journal_year                    2004
_chemical_formula_sum            'C59 H46 N4 O6 Re2'
_chemical_formula_weight         1279.45
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                113.00(3)
_cell_angle_beta                 101.75(3)
_cell_angle_gamma                106.82(3)
_cell_formula_units_Z            2
_cell_length_a                   13.025(3)
_cell_length_b                   14.515(5)
_cell_length_c                   16.632(5)
_cell_measurement_temperature    301.2
_cell_volume                     2585(2)
_diffrn_ambient_temperature      301.2
_exptl_crystal_density_diffrn    1.643
_refine_ls_R_factor_obs          0.0338
_refine_ls_wR_factor_obs         0.0496
_cod_depositor_comments
;
The following automatic conversions were performed:

'_atom_site_thermal_displace_type' tag value 'Uij' was replaced with
'Uani' value 117 times.

Automatic conversion script
Id: cif_fix_values 1646 2011-03-28 12:23:43Z adriana 
;
_cod_original_formula_sum        'C59 H46 N4 O6 Re2 '
_cod_database_code               4062818
; Organometallics  (2004) –; doi:10.1021/om049696l

data_4062819
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om049696l
_journal_year                    2004
_chemical_formula_moiety         'C50 H77 Cl2 N2 O5 P4 Pd2 Re'
_chemical_formula_sum            'C50 H77 Cl2 N2 O5 P4 Pd2 Re'
_chemical_formula_weight         1379.92
_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                 102.52(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   48.412(9)
_cell_length_b                   8.390(2)
_cell_length_c                   31.512(6)
_cell_measurement_temperature    293(2)
_cell_volume                     12495(4)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.467
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               4062819
; Organometallics  (2004) –; doi:10.1021/om049699y

data_4062820
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om049699y
_journal_year                    2004
_chemical_formula_sum            'C59 H60 Cl6 Hg N12 O46 Pt2'
_chemical_formula_weight         2476.66
_space_group_IT_number           9
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  'C -2yc'
_symmetry_space_group_name_H-M   'C 1 c 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 104.396(4)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   22.5114(18)
_cell_length_b                   21.7827(16)
_cell_length_c                   17.4364(14)
_cell_measurement_temperature    133(2)
_cell_volume                     8281.6(11)
_diffrn_ambient_temperature      133(2)
_exptl_crystal_density_diffrn    1.986
_cod_depositor_comments
;
The following automatic conversions were performed:
'_geom_bond_publ_flag' value 'Y' changed to 'y' according to
'/home/saulius/struct/CIF-dictionaries/cif_core.dic' dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29 (12 times).

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_sg_symbol_H-M      'C c'
_cod_database_code               4062820
; Organometallics  (2004) –; doi:10.1021/om049699y

data_4062821
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om049699y
_journal_year                    2004
_chemical_formula_sum            'C42 H38.97 Cl5.03 F6 Hg N8 O32 Pt2'
_chemical_formula_weight         2050.93
_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                 117.032(4)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   14.3092(14)
_cell_length_b                   17.0902(16)
_cell_length_c                   14.4137(14)
_cell_measurement_temperature    133(2)
_cell_volume                     3139.7(5)
_diffrn_ambient_temperature      133(2)
_exptl_crystal_density_diffrn    2.169
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               4062821
; Organometallics  (2004) –; doi:10.1021/om049699y

data_4062822
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om049699y
_journal_year                    2004
_chemical_formula_sum            'C54 H48 Hg N4 O14 P2 Pt'
_chemical_formula_weight         1434.58
_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                 95.089(4)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   13.3346(11)
_cell_length_b                   21.8052(18)
_cell_length_c                   18.3639(14)
_cell_measurement_temperature    133(2)
_cell_volume                     5318.5(7)
_diffrn_ambient_temperature      133(2)
_exptl_crystal_density_diffrn    1.792
_cod_depositor_comments
;
The following automatic conversions were performed:
'_geom_bond_publ_flag' value 'Y' changed to 'y' according to
'/home/saulius/struct/CIF-dictionaries/cif_core.dic' dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29 (11 times).

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               4062822