LMucko/crystallography-open-database huggingface dataset:
Syntheses and Structures of Tetraplatinum Bis(polyynediyl) Complexes with Laterally Arrayed sp Carbon Chains
Owen, Gareth R.; Hampel, Frank; Gladysz, J. A.; Organometallics 23 (2004) 5893–5895; doi:10.1021/om049354f

data_4061001
_publ_section_title
;
 Syntheses and Structures of Tetraplatinum Bis(polyynediyl) Complexes
 with Laterally Arrayed sp Carbon Chains
;
_journal_coden_ASTM              ORGND7
_journal_issue                   25
_journal_name_full               Organometallics
_journal_page_first              5893
_journal_page_last               5895
_journal_paper_doi               10.1021/om049354f
_journal_volume                  23
_journal_year                    2004
_chemical_formula_sum            'C79 H66 Cl6 F10 O P4 Pt2'
_chemical_formula_weight         1948.08
_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                 101.2807(8)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   18.9198(3)
_cell_length_b                   22.0175(3)
_cell_length_c                   19.5265(2)
_cell_measurement_temperature    173(2)
_cell_volume                     7976.94(19)
_diffrn_ambient_temperature      173(2)
_exptl_crystal_density_diffrn    1.622
_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               4061001
Syntheses and Structures of Diplatinum Hexatriynediyl Complexes, in Which the sp Carbon Chains Are Shielded by sp3 Carbon Chains
Owen, Gareth R.; Stahl, Jürgen; Hampel, Frank; Gladysz, J. A.; Organometallics 23 (2004) 5889–5892; doi:10.1021/om0493558

data_4061002
_publ_section_title
;
 Syntheses and Structures of Diplatinum Hexatriynediyl Complexes, in Which
 the sp Carbon Chains Are Shielded by sp3 Carbon Chains
;
_journal_coden_ASTM              ORGND7
_journal_issue                   25
_journal_name_full               Organometallics
_journal_page_first              5889
_journal_page_last               5892
_journal_paper_doi               10.1021/om0493558
_journal_volume                  23
_journal_year                    2004
_chemical_formula_sum            'C118 H116 F10 O4 P4 Pt2'
_chemical_formula_weight         2302.17
_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                104.4233(8)
_cell_angle_beta                 98.3223(9)
_cell_angle_gamma                114.8313(8)
_cell_formula_units_Z            1
_cell_length_a                   13.4269(2)
_cell_length_b                   14.8625(3)
_cell_length_c                   14.9832(2)
_cell_measurement_temperature    173(2)
_cell_volume                     2520.08(7)
_diffrn_ambient_temperature      173(2)
_exptl_crystal_density_diffrn    1.517
_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               4061002
Syntheses and Structures of Diplatinum Hexatriynediyl Complexes, in Which the sp Carbon Chains Are Shielded by sp3 Carbon Chains
Owen, Gareth R.; Stahl, Jürgen; Hampel, Frank; Gladysz, J. A.; Organometallics 23 (2004) 5889–5892; doi:10.1021/om0493558

data_4061003
_publ_section_title
;
 Syntheses and Structures of Diplatinum Hexatriynediyl Complexes, in Which
 the sp Carbon Chains Are Shielded by sp3 Carbon Chains
;
_journal_coden_ASTM              ORGND7
_journal_issue                   25
_journal_name_full               Organometallics
_journal_page_first              5889
_journal_page_last               5892
_journal_paper_doi               10.1021/om0493558
_journal_volume                  23
_journal_year                    2004
_chemical_formula_sum            'C90 H88 Cl4 F10 P4 Pt2'
_chemical_formula_weight         2015.46
_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                73.2385(8)
_cell_angle_beta                 73.6865(9)
_cell_angle_gamma                65.1352(9)
_cell_formula_units_Z            1
_cell_length_a                   12.5504(2)
_cell_length_b                   12.5639(2)
_cell_length_c                   15.6464(2)
_cell_measurement_temperature    173(2)
_cell_volume                     2106.86(5)
_diffrn_ambient_temperature      173(2)
_exptl_crystal_density_diffrn    1.589
_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               4061003
Syntheses and Structures of Diplatinum Hexatriynediyl Complexes, in Which the sp Carbon Chains Are Shielded by sp3 Carbon Chains
Owen, Gareth R.; Stahl, Jürgen; Hampel, Frank; Gladysz, J. A.; Organometallics 23 (2004) 5889–5892; doi:10.1021/om0493558

data_4061004
_publ_section_title
;
 Syntheses and Structures of Diplatinum Hexatriynediyl Complexes, in Which
 the sp Carbon Chains Are Shielded by sp3 Carbon Chains
;
_journal_coden_ASTM              ORGND7
_journal_issue                   25
_journal_name_full               Organometallics
_journal_page_first              5889
_journal_page_last               5892
_journal_paper_doi               10.1021/om0493558
_journal_volume                  23
_journal_year                    2004
_chemical_formula_sum            'C104 H116 Cl4 F10 P4 Pt2'
_chemical_formula_weight         2211.83
_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                102.614(6)
_cell_angle_beta                 103.327(6)
_cell_angle_gamma                112.551(5)
_cell_formula_units_Z            2
_cell_length_a                   15.0284(2)
_cell_length_b                   18.1876(2)
_cell_length_c                   21.3651(2)
_cell_measurement_temperature    173(2)
_cell_volume                     4932.71(10)
_diffrn_ambient_temperature      173(2)
_exptl_crystal_density_diffrn    1.489
_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               4061004
Syntheses and Structures of Diplatinum Hexatriynediyl Complexes, in Which the sp Carbon Chains Are Shielded by sp3 Carbon Chains
Owen, Gareth R.; Stahl, Jürgen; Hampel, Frank; Gladysz, J. A.; Organometallics 23 (2004) 5889–5892; doi:10.1021/om0493558

data_4061005
_publ_section_title
;
 Syntheses and Structures of Diplatinum Hexatriynediyl Complexes, in Which
 the sp Carbon Chains Are Shielded by sp3 Carbon Chains
;
_journal_coden_ASTM              ORGND7
_journal_issue                   25
_journal_name_full               Organometallics
_journal_page_first              5889
_journal_page_last               5892
_journal_paper_doi               10.1021/om0493558
_journal_volume                  23
_journal_year                    2004
_chemical_formula_sum            'C86 H80 F10 P4 Pt2'
_chemical_formula_weight         1817.56
_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                 118.081(11)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   42.6816(7)
_cell_length_b                   9.1247(2)
_cell_length_c                   22.0727(3)
_cell_measurement_temperature    173(2)
_cell_volume                     7584.4(2)
_diffrn_ambient_temperature      173(2)
_exptl_crystal_density_diffrn    1.592
_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_database_code               4061005
Ruthenium-Catalyzed Allylation of Aromatic Compounds and Allylic Ether Formation
Onodera, Gen; Imajima, Hiroaki; Yamanashi, Masashi; Nishibayashi, Yoshiaki; Hidai, Masanobu; Uemura, Sakae; Organometallics 23 (2004) 5841–5848; doi:10.1021/om049358k

data_4061006
_publ_section_title
;
 Ruthenium-Catalyzed Allylation of Aromatic Compounds and Allylic Ether
 Formation
;
_journal_coden_ASTM              ORGND7
_journal_issue                   24
_journal_name_full               Organometallics
_journal_page_first              5841
_journal_page_last               5848
_journal_paper_doi               10.1021/om049358k
_journal_volume                  23
_journal_year                    2004
_chemical_formula_sum            'C28 H46 Cl4 F3 O3 Ru2 S3'
_chemical_formula_weight         927.80
_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                90.36(4)
_cell_angle_beta                 93.30(4)
_cell_angle_gamma                110.30(3)
_cell_formula_units_Z            2
_cell_length_a                   12.629(4)
_cell_length_b                   17.581(7)
_cell_length_c                   9.089(4)
_cell_measurement_temperature    296.2
_cell_volume                     1888(1)
_exptl_crystal_density_diffrn    1.631
_cod_depositor_comments
;
 Marking attached hydrogen atoms.

 Antanas Vaitkus,
 2018-01-29
;
_cod_original_formula_sum        'C28 H46 Cl4 F3 O3 S3 Ru2 '
_cod_database_code               4061006
A Remarkably Facile Zirconium(IV) → Aluminum(III) β-Diketiminate Transmetalation That Also Results in a More Active Olefin Polymerization Catalyst upon Activation
Cortright, Sarah B.; Coalter, Joseph N.; Pink, Maren; Johnston, Jeffrey N.; Organometallics 23 (2004) 5885–5888; doi:10.1021/om049364g

data_4061007
_publ_section_title
;
 A Remarkably Facile Zirconium(IV) \\rightarrow  Aluminum(III) \b-Diketiminate
 Transmetalation That Also Results in a More Active Olefin Polymerization
 Catalyst upon Activation
;
_journal_coden_ASTM              ORGND7
_journal_issue                   25
_journal_name_full               Organometallics
_journal_page_first              5885
_journal_page_last               5888
_journal_paper_doi               10.1021/om049364g
_journal_volume                  23
_journal_year                    2004
_chemical_formula_moiety         'C22 H21 Al N2'
_chemical_formula_sum            'C22 H21 Al N2'
_chemical_formula_weight         340.39
_space_group_IT_number           61
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2ac 2ab'
_symmetry_space_group_name_H-M   'P b c a'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   8.6882(5)
_cell_length_b                   19.1772(9)
_cell_length_c                   22.1636(10)
_cell_measurement_temperature    120(2)
_cell_volume                     3692.8(3)
_diffrn_ambient_temperature      120(2)
_exptl_crystal_density_diffrn    1.226
_cod_database_code               4061007
New Mechanism for the Intermolecular Hydroamination of Alkynes: Catalysis by Dinuclear Ruthenium Complexes with a Rigid Dicyclopentadienyl Ligand
Klein, David P.; Ellern, Arkady; Angelici, Robert J.; Organometallics 23 (2004) 5662–5670; doi:10.1021/om049377u

data_4061008
_publ_section_title
;
 New Mechanism for the Intermolecular Hydroamination of Alkynes:
 Catalysis by Dinuclear Ruthenium Complexes with a Rigid Dicyclopentadienyl
 Ligand
;
_journal_coden_ASTM              ORGND7
_journal_issue                   24
_journal_name_full               Organometallics
_journal_page_first              5662
_journal_page_last               5670
_journal_paper_doi               10.1021/om049377u
_journal_volume                  23
_journal_year                    2004
_chemical_formula_sum            'C25 H24 O3 Ru2 Si2'
_chemical_formula_weight         630.76
_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                 105.490(5)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   35.495(7)
_cell_length_b                   8.7563(16)
_cell_length_c                   15.913(3)
_cell_measurement_temperature    173(2)
_cell_volume                     4766.2(15)
_diffrn_ambient_temperature      173(2)
_exptl_crystal_density_diffrn    1.758
_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_database_code               4061008
New Mechanism for the Intermolecular Hydroamination of Alkynes: Catalysis by Dinuclear Ruthenium Complexes with a Rigid Dicyclopentadienyl Ligand
Klein, David P.; Ellern, Arkady; Angelici, Robert J.; Organometallics 23 (2004) 5662–5670; doi:10.1021/om049377u

data_4061009
_publ_section_title
;
 New Mechanism for the Intermolecular Hydroamination of Alkynes:
 Catalysis by Dinuclear Ruthenium Complexes with a Rigid Dicyclopentadienyl
 Ligand
;
_journal_coden_ASTM              ORGND7
_journal_issue                   24
_journal_name_full               Organometallics
_journal_page_first              5662
_journal_page_last               5670
_journal_paper_doi               10.1021/om049377u
_journal_volume                  23
_journal_year                    2004
_chemical_formula_sum            'C25 H25 B F4 O3 Ru2 Si2'
_chemical_formula_weight         718.58
_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                 108.389(17)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   9.280(10)
_cell_length_b                   12.903(14)
_cell_length_c                   12.147(13)
_cell_measurement_temperature    193(2)
_cell_volume                     1380(3)
_diffrn_ambient_temperature      193(2)
_exptl_crystal_density_diffrn    1.729
_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               4061009
Synthesis, Structural Characterization, Ligand Displacement Reaction, and Electrochemical Property of Ruthenium Complexes Incorporating Linked Cyclopentadienyl-Carboranyl Ligands
Sun, Yi; Chan, Hoi-Shan; Dixneuf, Pierre H.; Xie, Zuowei; Organometallics 23 (2004) 5864–5872; doi:10.1021/om0493816

data_4061010
_publ_section_title
;
 Synthesis, Structural Characterization, Ligand Displacement Reaction, and
 Electrochemical Property of Ruthenium Complexes Incorporating Linked
 Cyclopentadienyl-Carboranyl Ligands
;
_journal_coden_ASTM              ORGND7
_journal_issue                   24
_journal_name_full               Organometallics
_journal_page_first              5864
_journal_page_last               5872
_journal_paper_doi               10.1021/om0493816
_journal_volume                  23
_journal_year                    2004
_chemical_formula_sum            'C16 H22 B10'
_chemical_formula_weight         322.44
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   11.681(2)
_cell_length_b                   23.528(5)
_cell_length_c                   13.623(3)
_cell_measurement_temperature    293(2)
_cell_volume                     3744.3(13)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.144
_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               4061010
Synthesis, Structural Characterization, Ligand Displacement Reaction, and Electrochemical Property of Ruthenium Complexes Incorporating Linked Cyclopentadienyl-Carboranyl Ligands
Sun, Yi; Chan, Hoi-Shan; Dixneuf, Pierre H.; Xie, Zuowei; Organometallics 23 (2004) 5864–5872; doi:10.1021/om0493816

data_4061011
_publ_section_title
;
 Synthesis, Structural Characterization, Ligand Displacement Reaction, and
 Electrochemical Property of Ruthenium Complexes Incorporating Linked
 Cyclopentadienyl-Carboranyl Ligands
;
_journal_coden_ASTM              ORGND7
_journal_issue                   24
_journal_name_full               Organometallics
_journal_page_first              5864
_journal_page_last               5872
_journal_paper_doi               10.1021/om0493816
_journal_volume                  23
_journal_year                    2004
_chemical_formula_sum            'C18 H32 B10 Ru'
_chemical_formula_weight         457.61
_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                86.3050(10)
_cell_angle_beta                 74.1720(10)
_cell_angle_gamma                69.2330(10)
_cell_formula_units_Z            2
_cell_length_a                   9.2361(4)
_cell_length_b                   10.1817(5)
_cell_length_c                   12.5377(6)
_cell_measurement_temperature    293(2)
_cell_volume                     1059.95(9)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.434
_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               4061011
Synthesis, Structural Characterization, Ligand Displacement Reaction, and Electrochemical Property of Ruthenium Complexes Incorporating Linked Cyclopentadienyl-Carboranyl Ligands
Sun, Yi; Chan, Hoi-Shan; Dixneuf, Pierre H.; Xie, Zuowei; Organometallics 23 (2004) 5864–5872; doi:10.1021/om0493816

data_4061012
_publ_section_title
;
 Synthesis, Structural Characterization, Ligand Displacement Reaction, and
 Electrochemical Property of Ruthenium Complexes Incorporating Linked
 Cyclopentadienyl-Carboranyl Ligands
;
_journal_coden_ASTM              ORGND7
_journal_issue                   24
_journal_name_full               Organometallics
_journal_page_first              5864
_journal_page_last               5872
_journal_paper_doi               10.1021/om0493816
_journal_volume                  23
_journal_year                    2004
_chemical_formula_sum            'C22 H34 B10 Ru'
_chemical_formula_weight         507.66
_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                 98.876(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   7.2777(7)
_cell_length_b                   21.082(2)
_cell_length_c                   15.3044(15)
_cell_measurement_temperature    293(2)
_cell_volume                     2320.0(4)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.453
_cod_original_sg_symbol_H-M      'C c'
_cod_database_code               4061012
Synthesis, Structural Characterization, Ligand Displacement Reaction, and Electrochemical Property of Ruthenium Complexes Incorporating Linked Cyclopentadienyl-Carboranyl Ligands
Sun, Yi; Chan, Hoi-Shan; Dixneuf, Pierre H.; Xie, Zuowei; Organometallics 23 (2004) 5864–5872; doi:10.1021/om0493816

data_4061013
_publ_section_title
;
 Synthesis, Structural Characterization, Ligand Displacement Reaction, and
 Electrochemical Property of Ruthenium Complexes Incorporating Linked
 Cyclopentadienyl-Carboranyl Ligands
;
_journal_coden_ASTM              ORGND7
_journal_issue                   24
_journal_name_full               Organometallics
_journal_page_first              5864
_journal_page_last               5872
_journal_paper_doi               10.1021/om0493816
_journal_volume                  23
_journal_year                    2004
_chemical_formula_sum            'C24 H32 B10 Ru'
_chemical_formula_weight         529.67
_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                   10.219(2)
_cell_length_b                   11.867(2)
_cell_length_c                   20.697(4)
_cell_measurement_temperature    293(2)
_cell_volume                     2509.8(9)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.402
_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               4061013