LMucko/crystallography-open-database huggingface dataset:
Diiron Oxadithiolate Type Models for the Active Site of Iron-Only Hydrogenases and Biomimetic Hydrogen Evolution Catalyzed by Fe2(μ-SCH2OCH2S-μ)(CO)6
Song, Li-Cheng; Yang, Zhi-Yong; Bian, Hong-Zhu; Liu, Yang; Wang, Hu-Ting; Liu, Xu-Feng; Hu, Qing-Mei; Organometallics 24 (2005) 6126–6135; doi:10.1021/om0507373

data_4061802
_publ_section_title
;
 Diiron Oxadithiolate Type Models for the Active Site of Iron-Only
 Hydrogenases and Biomimetic Hydrogen Evolution Catalyzed by
 Fe2(\m-SCH2OCH2S-\m)(CO)6
;
_journal_coden_ASTM              ORGND7
_journal_issue                   25
_journal_name_full               Organometallics
_journal_page_first              6126
_journal_page_last               6135
_journal_paper_doi               10.1021/om0507373
_journal_volume                  24
_journal_year                    2005
_chemical_formula_sum            'C8 H4 Fe2 O7 S2'
_chemical_formula_weight         387.93
_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                 109.421(6)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   6.833(3)
_cell_length_b                   13.633(6)
_cell_length_c                   7.711(3)
_cell_measurement_temperature    293(2)
_cell_volume                     677.4(5)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.902
_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 

 Updated bibliographic information.

 Antanas Vaitkus,
 2019-09-24
;
_cod_original_sg_symbol_H-M      'P 21/m'
_cod_database_code               4061802
Diiron Oxadithiolate Type Models for the Active Site of Iron-Only Hydrogenases and Biomimetic Hydrogen Evolution Catalyzed by Fe2(μ-SCH2OCH2S-μ)(CO)6
Song, Li-Cheng; Yang, Zhi-Yong; Bian, Hong-Zhu; Liu, Yang; Wang, Hu-Ting; Liu, Xu-Feng; Hu, Qing-Mei; Organometallics 24 (2005) 6126–6135; doi:10.1021/om0507373

data_4061803
_publ_section_title
;
 Diiron Oxadithiolate Type Models for the Active Site of Iron-Only
 Hydrogenases and Biomimetic Hydrogen Evolution Catalyzed by
 Fe2(\m-SCH2OCH2S-\m)(CO)6
;
_journal_coden_ASTM              ORGND7
_journal_issue                   25
_journal_name_full               Organometallics
_journal_page_first              6126
_journal_page_last               6135
_journal_paper_doi               10.1021/om0507373
_journal_volume                  24
_journal_year                    2005
_chemical_formula_sum            'C16 H24 Fe2 N2 O6 S2'
_chemical_formula_weight         516.19
_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                 114.653(11)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   32.554(12)
_cell_length_b                   11.294(4)
_cell_length_c                   13.655(5)
_cell_measurement_temperature    293(2)
_cell_volume                     4563(3)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.503
_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 

 Updated bibliographic information.

 Antanas Vaitkus,
 2019-09-24
;
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               4061803
Diiron Oxadithiolate Type Models for the Active Site of Iron-Only Hydrogenases and Biomimetic Hydrogen Evolution Catalyzed by Fe2(μ-SCH2OCH2S-μ)(CO)6
Song, Li-Cheng; Yang, Zhi-Yong; Bian, Hong-Zhu; Liu, Yang; Wang, Hu-Ting; Liu, Xu-Feng; Hu, Qing-Mei; Organometallics 24 (2005) 6126–6135; doi:10.1021/om0507373

data_4061804
_publ_section_title
;
 Diiron Oxadithiolate Type Models for the Active Site of Iron-Only
 Hydrogenases and Biomimetic Hydrogen Evolution Catalyzed by
 Fe2(\m-SCH2OCH2S-\m)(CO)6
;
_journal_coden_ASTM              ORGND7
_journal_issue                   25
_journal_name_full               Organometallics
_journal_page_first              6126
_journal_page_last               6135
_journal_paper_doi               10.1021/om0507373
_journal_volume                  24
_journal_year                    2005
_chemical_formula_sum            'C20 H14 Fe3 O8 S3'
_chemical_formula_weight         646.04
_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                   11.021(7)
_cell_length_b                   13.173(8)
_cell_length_c                   16.851(10)
_cell_measurement_temperature    293(2)
_cell_volume                     2446(2)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.754
_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 

 Updated bibliographic information.

 Antanas Vaitkus,
 2019-09-24
;
_cod_database_code               4061804
Diiron Oxadithiolate Type Models for the Active Site of Iron-Only Hydrogenases and Biomimetic Hydrogen Evolution Catalyzed by Fe2(μ-SCH2OCH2S-μ)(CO)6
Song, Li-Cheng; Yang, Zhi-Yong; Bian, Hong-Zhu; Liu, Yang; Wang, Hu-Ting; Liu, Xu-Feng; Hu, Qing-Mei; Organometallics 24 (2005) 6126–6135; doi:10.1021/om0507373

data_4061805
_publ_section_title
;
 Diiron Oxadithiolate Type Models for the Active Site of Iron-Only
 Hydrogenases and Biomimetic Hydrogen Evolution Catalyzed by
 Fe2(\m-SCH2OCH2S-\m)(CO)6
;
_journal_coden_ASTM              ORGND7
_journal_issue                   25
_journal_name_full               Organometallics
_journal_page_first              6126
_journal_page_last               6135
_journal_paper_doi               10.1021/om0507373
_journal_volume                  24
_journal_year                    2005
_chemical_formula_sum            'C22 H12 Fe4 N2 O12 S4'
_chemical_formula_weight         847.98
_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                 113.949(7)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   28.406(13)
_cell_length_b                   7.598(3)
_cell_length_c                   15.657(7)
_cell_measurement_temperature    293(2)
_cell_volume                     3088(2)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.824
_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 

 Updated bibliographic information.

 Antanas Vaitkus,
 2019-09-24
;
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               4061805
Diiron Oxadithiolate Type Models for the Active Site of Iron-Only Hydrogenases and Biomimetic Hydrogen Evolution Catalyzed by Fe2(μ-SCH2OCH2S-μ)(CO)6
Song, Li-Cheng; Yang, Zhi-Yong; Bian, Hong-Zhu; Liu, Yang; Wang, Hu-Ting; Liu, Xu-Feng; Hu, Qing-Mei; Organometallics 24 (2005) 6126–6135; doi:10.1021/om0507373

data_4061806
_publ_section_title
;
 Diiron Oxadithiolate Type Models for the Active Site of Iron-Only
 Hydrogenases and Biomimetic Hydrogen Evolution Catalyzed by
 Fe2(\m-SCH2OCH2S-\m)(CO)6
;
_journal_coden_ASTM              ORGND7
_journal_issue                   25
_journal_name_full               Organometallics
_journal_page_first              6126
_journal_page_last               6135
_journal_paper_doi               10.1021/om0507373
_journal_volume                  24
_journal_year                    2005
_chemical_formula_sum            'C51 H42 Cl6 Fe5 O12 P2 S4'
_chemical_formula_weight         1528.98
_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                117.430(12)
_cell_angle_beta                 106.307(10)
_cell_angle_gamma                94.840(10)
_cell_formula_units_Z            1
_cell_length_a                   10.422(6)
_cell_length_b                   13.454(6)
_cell_length_c                   14.360(8)
_cell_measurement_temperature    293(2)
_cell_volume                     1660.4(14)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.529
_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 

 Updated bibliographic information.

 Antanas Vaitkus,
 2019-09-24
;
_cod_database_code               4061806
Diiron Oxadithiolate Type Models for the Active Site of Iron-Only Hydrogenases and Biomimetic Hydrogen Evolution Catalyzed by Fe2(μ-SCH2OCH2S-μ)(CO)6
Song, Li-Cheng; Yang, Zhi-Yong; Bian, Hong-Zhu; Liu, Yang; Wang, Hu-Ting; Liu, Xu-Feng; Hu, Qing-Mei; Organometallics 24 (2005) 6126–6135; doi:10.1021/om0507373

data_4061807
_publ_section_title
;
 Diiron Oxadithiolate Type Models for the Active Site of Iron-Only
 Hydrogenases and Biomimetic Hydrogen Evolution Catalyzed by
 Fe2(\m-SCH2OCH2S-\m)(CO)6
;
_journal_coden_ASTM              ORGND7
_journal_issue                   25
_journal_name_full               Organometallics
_journal_page_first              6126
_journal_page_last               6135
_journal_paper_doi               10.1021/om0507373
_journal_volume                  24
_journal_year                    2005
_chemical_formula_sum            'C60 H46 Cl2 Fe4 O12 P2 Ru S4'
_chemical_formula_weight         1544.52
_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                 109.064(5)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   33.484(12)
_cell_length_b                   9.174(3)
_cell_length_c                   21.475(8)
_cell_measurement_temperature    293(2)
_cell_volume                     6235(4)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.645
_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 

 Updated bibliographic information.

 Antanas Vaitkus,
 2019-09-24
;
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               4061807
Diiron Oxadithiolate Type Models for the Active Site of Iron-Only Hydrogenases and Biomimetic Hydrogen Evolution Catalyzed by Fe2(μ-SCH2OCH2S-μ)(CO)6
Song, Li-Cheng; Yang, Zhi-Yong; Bian, Hong-Zhu; Liu, Yang; Wang, Hu-Ting; Liu, Xu-Feng; Hu, Qing-Mei; Organometallics 24 (2005) 6126–6135; doi:10.1021/om0507373

data_4061808
_publ_section_title
;
 Diiron Oxadithiolate Type Models for the Active Site of Iron-Only
 Hydrogenases and Biomimetic Hydrogen Evolution Catalyzed by
 Fe2(\m-SCH2OCH2S-\m)(CO)6
;
_journal_coden_ASTM              ORGND7
_journal_issue                   25
_journal_name_full               Organometallics
_journal_page_first              6126
_journal_page_last               6135
_journal_paper_doi               10.1021/om0507373
_journal_volume                  24
_journal_year                    2005
_chemical_formula_sum            'C44 H40 Fe4 O14 P2 S4'
_chemical_formula_weight         1206.34
_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                 101.361(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   15.931(9)
_cell_length_b                   18.653(11)
_cell_length_c                   17.065(10)
_cell_measurement_temperature    293(2)
_cell_volume                     4972(5)
_diffrn_ambient_temperature      293(2)
_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 

 Updated bibliographic information.

 Antanas Vaitkus,
 2019-09-24
;
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               4061808
Diiron Oxadithiolate Type Models for the Active Site of Iron-Only Hydrogenases and Biomimetic Hydrogen Evolution Catalyzed by Fe2(μ-SCH2OCH2S-μ)(CO)6
Song, Li-Cheng; Yang, Zhi-Yong; Bian, Hong-Zhu; Liu, Yang; Wang, Hu-Ting; Liu, Xu-Feng; Hu, Qing-Mei; Organometallics 24 (2005) 6126–6135; doi:10.1021/om0507373

data_4061809
_publ_section_title
;
 Diiron Oxadithiolate Type Models for the Active Site of Iron-Only
 Hydrogenases and Biomimetic Hydrogen Evolution Catalyzed by
 Fe2(\m-SCH2OCH2S-\m)(CO)6
;
_journal_coden_ASTM              ORGND7
_journal_issue                   25
_journal_name_full               Organometallics
_journal_page_first              6126
_journal_page_last               6135
_journal_paper_doi               10.1021/om0507373
_journal_volume                  24
_journal_year                    2005
_chemical_formula_sum            'C40 H37 Cl3 Fe2 N O5 P2 S2'
_chemical_formula_weight         955.82
_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                76.821(9)
_cell_angle_beta                 72.850(9)
_cell_angle_gamma                81.230(8)
_cell_formula_units_Z            2
_cell_length_a                   11.244(6)
_cell_length_b                   13.596(7)
_cell_length_c                   15.158(7)
_cell_measurement_temperature    293(2)
_cell_volume                     2146.9(19)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.479
_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 

 Updated bibliographic information.

 Antanas Vaitkus,
 2019-09-24
;
_cod_database_code               4061809
; Organometallics  (2005) –; doi:10.1021/om050741e

data_4061810
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om050741e
_journal_year                    2005
_chemical_formula_sum            'C62 H32 B2 F30 O4 Zr2'
_chemical_formula_weight         1614.94
_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                90.053(17)
_cell_angle_beta                 118.416(13)
_cell_angle_gamma                108.960(12)
_cell_formula_units_Z            1
_cell_length_a                   11.9868(16)
_cell_length_b                   12.3812(17)
_cell_length_c                   12.543(2)
_cell_measurement_temperature    293(2)
_cell_volume                     1521.1(4)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.763
_cod_database_code               4061810
; Organometallics  (2005) –; doi:10.1021/om050760o

data_4061811
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om050760o
_journal_year                    2005
_chemical_formula_moiety         'C72 H78 Ca4 O13'
_chemical_formula_sum            'C72 H78 Ca4 O13'
_chemical_formula_weight         1311.66
_chemical_name_common
'[bis(2,6-dimethoxyphenylcalcium)]3.[calciumoxide].[benzen'
_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                 111.60(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   16.168(3)
_cell_length_b                   10.617(2)
_cell_length_c                   21.241(4)
_cell_measurement_temperature    183(2)
_cell_volume                     3390.0(12)
_diffrn_ambient_temperature      183(2)
_exptl_crystal_density_diffrn    1.285
_cod_original_sg_symbol_H-M      'P 21'
_cod_database_code               4061811
; Organometallics  (2005) –; doi:10.1021/om050761g

data_4061812
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om050761g
_journal_year                    2005
_chemical_formula_moiety         'C22 H30 Mo2 S3'
_chemical_formula_sum            'C22 H30 Mo2 S3'
_chemical_formula_weight         582.52
_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                 93.622(4)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   9.269(5)
_cell_length_b                   8.706(2)
_cell_length_c                   29.196(5)
_cell_measurement_temperature    293(2)
_cell_volume                     2351.1(14)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.646
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               4061812
; Organometallics  (2005) –; doi:10.1021/om050761g

data_4061813
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om050761g
_journal_year                    2005
_chemical_formula_moiety         'C22 H28 Mo2 S3'
_chemical_formula_sum            'C22 H28 Mo2 S3'
_chemical_formula_weight         580.5
_space_group_IT_number           19
_space_group_name_Hall           'P 2ac 2ab'
_space_group_name_H-M_alt        'P 21 21 21'
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      19
_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                   7.9181(2)
_cell_length_b                   13.6483(4)
_cell_length_c                   20.6495(6)
_cell_measurement_temperature    100(2)
_cell_volume                     2231.56(11)
_diffrn_ambient_temperature      100(2)
_exptl_crystal_density_diffrn    1.728
_cod_database_code               4061813
; Organometallics  (2005) –; doi:10.1021/om0508482

data_4061814
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om0508482
_journal_year                    2005
_chemical_formula_moiety         'C53 H84 O P2 Ru, 0.5(C4 H10 O)'
_chemical_formula_sum            'C55 H89 O1.5 P2 Ru'
_chemical_formula_weight         937.27
_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                 108.629(7)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   12.747(4)
_cell_length_b                   42.414(14)
_cell_length_c                   9.980(3)
_cell_measurement_temperature    123(2)
_cell_volume                     5113(3)
_diffrn_ambient_temperature      123(2)
_exptl_crystal_density_diffrn    1.218
_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        'C55 H89 O1.50 P2 Ru'
_cod_database_code               4061814
; Organometallics  (2005) –; doi:10.1021/om058005y

data_4061815
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om058005y
_journal_year                    2005
_chemical_formula_sum            'C18 H26 Cl N O4 Pd S'
_chemical_formula_weight         494.31
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                81.30(3)
_cell_angle_beta                 69.67(3)
_cell_angle_gamma                71.66(3)
_cell_formula_units_Z            2
_cell_length_a                   10.242(2)
_cell_length_b                   10.271(2)
_cell_length_c                   11.162(2)
_cell_measurement_temperature    293(2)
_cell_volume                     1044.0(4)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.573
_cod_database_code               4061815
; Organometallics  (2005) –; doi:10.1021/om058005y

data_4061816
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om058005y
_journal_year                    2005
_chemical_formula_sum            'C26 H28 Cl N O8 Pd S'
_chemical_formula_weight         656.40
_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                 101.84(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   10.939(2)
_cell_length_b                   11.314(2)
_cell_length_c                   22.949(5)
_cell_measurement_temperature    293(2)
_cell_volume                     2779.8(10)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.568
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               4061816