LMucko/crystallography-open-database huggingface dataset:
Vojtech Jancik; Leslie W. Pineda; A. Claudia Stückl; Herbert W. Roesky; Regine Herbst-Irmer; Organometallics  (2005) –; doi:10.1021/om049419e

data_4060486
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om049419e
_journal_year                    2005
_chemical_formula_sum            'C31 H25 Cl3 Ir N5 O2'
_chemical_formula_weight         798.11
_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                 101.0232(16)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   11.8006(5)
_cell_length_b                   12.8199(4)
_cell_length_c                   20.4841(8)
_cell_measurement_temperature    293(2)
_cell_volume                     3041.7(2)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.743
_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               4060486
Vojtech Jancik; Leslie W. Pineda; A. Claudia Stückl; Herbert W. Roesky; Regine Herbst-Irmer; Organometallics  (2005) –; doi:10.1021/om049419e

data_4060487
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om049419e
_journal_year                    2005
_chemical_formula_sum            'C29 H21 Cl3 Ir N5 O2'
_chemical_formula_weight         770.06
_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                 101.9319(7)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   9.9540(2)
_cell_length_b                   16.1700(3)
_cell_length_c                   17.8373(3)
_cell_measurement_temperature    293(2)
_cell_volume                     2808.99(9)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.821
_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               4060487
Fluorous Zirconocene(IV) Complexes and their Olefin Polymerization Activity in Toluene and Fluorous Biphasic Solvent Systems
Merle, Philippe G.; Cheron, Virginie; Hagen, Henk; Lutz, Martin; Spek, Anthony L.; Deelman, Berth-Jan; van Koten, Gerard; Organometallics  (2005) –; doi:10.1021/om049507z

data_4060488
_publ_section_title
;
Fluorous Zirconocene(IV) Complexes and their Olefin Polymerization Activity
in Toluene and Fluorous Biphasic Solvent Systems
;
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om049507z
_journal_year                    2005
_chemical_formula_moiety         'C21 H6 Br F15 Si'
_chemical_formula_sum            'C21 H6 Br F15 Si'
_chemical_formula_weight         651.26
_space_group_IT_number           148
_symmetry_cell_setting           trigonal
_symmetry_space_group_name_Hall  '-R 3'
_symmetry_space_group_name_H-M   'R -3 :H'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                120.00
_cell_formula_units_Z            12
_cell_length_a                   15.9230(12)
_cell_length_b                   15.9230(12)
_cell_length_c                   29.4013(16)
_cell_measurement_temperature    150(2)
_cell_volume                     6455.8(8)
_diffrn_ambient_temperature      150(2)
_exptl_crystal_density_diffrn    2.010
_cod_original_sg_symbol_H-M      'R -3'
_cod_database_code               4060488
Fluorous Zirconocene(IV) Complexes and their Olefin Polymerization Activity in Toluene and Fluorous Biphasic Solvent Systems
Merle, Philippe G.; Cheron, Virginie; Hagen, Henk; Lutz, Martin; Spek, Anthony L.; Deelman, Berth-Jan; van Koten, Gerard; Organometallics  (2005) –; doi:10.1021/om049507z

data_4060489
_publ_section_title
;
Fluorous Zirconocene(IV) Complexes and their Olefin Polymerization Activity
in Toluene and Fluorous Biphasic Solvent Systems
;
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om049507z
_journal_year                    2005
_chemical_formula_moiety         'C30 H28 Cl2 F26 Si2 Zr'
_chemical_formula_sum            'C30 H28 Cl2 F26 Si2 Zr'
_chemical_formula_weight         1100.82
_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                 106.4326(14)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   46.3678(10)
_cell_length_b                   6.5983(2)
_cell_length_c                   14.2962(4)
_cell_measurement_temperature    150(2)
_cell_volume                     4195.2(2)
_diffrn_ambient_temperature      150(2)
_exptl_crystal_density_diffrn    1.743
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               4060489
Fluorous Zirconocene(IV) Complexes and their Olefin Polymerization Activity in Toluene and Fluorous Biphasic Solvent Systems
Merle, Philippe G.; Cheron, Virginie; Hagen, Henk; Lutz, Martin; Spek, Anthony L.; Deelman, Berth-Jan; van Koten, Gerard; Organometallics  (2005) –; doi:10.1021/om049507z

data_4060490
_publ_section_title
;
Fluorous Zirconocene(IV) Complexes and their Olefin Polymerization Activity
in Toluene and Fluorous Biphasic Solvent Systems
;
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om049507z
_journal_year                    2005
_chemical_formula_moiety         'C28 H24 Cl2 F10 Si2 Zr'
_chemical_formula_sum            'C28 H24 Cl2 F10 Si2 Zr'
_chemical_formula_weight         768.77
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                73.4706(7)
_cell_angle_beta                 80.0282(8)
_cell_angle_gamma                87.9965(7)
_cell_formula_units_Z            2
_cell_length_a                   7.8842(1)
_cell_length_b                   13.4155(2)
_cell_length_c                   15.1449(3)
_cell_measurement_temperature    150(2)
_cell_volume                     1512.31(4)
_diffrn_ambient_temperature      150(2)
_exptl_crystal_density_diffrn    1.688
_cod_database_code               4060490
Electron-Poor Pentafluorophenyl-Substituted PCP‒Palladium Pincer Complexes
Chase, Preston A.; Gagliardo, Marcella; Lutz, Martin; Spek, Anthony L.; van Klink, Gerard P. M.; van Koten, Gerard; Organometallics 24 (2005) 2016–2019; doi:10.1021/om0500063

data_4060491
_publ_section_title
;
 Electron-Poor Pentafluorophenyl-Substituted PCP--Palladium Pincer Complexes
;
_journal_coden_ASTM              INOCAJ
_journal_issue                   9
_journal_name_full               Organometallics
_journal_page_first              2016
_journal_page_last               2019
_journal_paper_doi               10.1021/om0500063
_journal_volume                  24
_journal_year                    2005
_chemical_formula_moiety         '0.82(C32 H8 F20 P2), 0.18(C32 H8 F20 O P2)'
_chemical_formula_sum            'C32 H8 F20 O0.18 P2'
_chemical_formula_weight         837.20
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 103.0616(6)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   6.0387(1)
_cell_length_b                   32.3369(5)
_cell_length_c                   15.9373(2)
_cell_measurement_temperature    125(2)
_cell_volume                     3031.60(8)
_diffrn_ambient_temperature      125(2)
_exptl_crystal_density_diffrn    1.834
_cod_duplicate_entry             1100892
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               4060491
Electron-Poor Pentafluorophenyl-Substituted PCP‒Palladium Pincer Complexes
Chase, Preston A.; Gagliardo, Marcella; Lutz, Martin; Spek, Anthony L.; van Klink, Gerard P. M.; van Koten, Gerard; Organometallics 24 (2005) 2016–2019; doi:10.1021/om0500063

data_4060492
_publ_section_title
;
 Electron-Poor Pentafluorophenyl-Substituted PCP--Palladium Pincer Complexes
;
_journal_coden_ASTM              INOCAJ
_journal_issue                   9
_journal_name_full               Organometallics
_journal_page_first              2016
_journal_page_last               2019
_journal_paper_doi               10.1021/om0500063
_journal_volume                  24
_journal_year                    2005
_chemical_formula_moiety         'C34 H10 F20 N P2 Pd, B F4'
_chemical_formula_sum            'C34 H10 B F24 N P2 Pd'
_chemical_formula_weight         1067.58
_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                 110.5437(8)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   10.1565(2)
_cell_length_b                   25.6619(5)
_cell_length_c                   16.1795(3)
_cell_measurement_temperature    150(2)
_cell_volume                     3948.77(13)
_diffrn_ambient_temperature      150(2)
_exptl_crystal_density_diffrn    1.796
_cod_duplicate_entry             1100893
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               4060492
Electron-Poor Pentafluorophenyl-Substituted PCP‒Palladium Pincer Complexes
Chase, Preston A.; Gagliardo, Marcella; Lutz, Martin; Spek, Anthony L.; van Klink, Gerard P. M.; van Koten, Gerard; Organometallics 24 (2005) 2016–2019; doi:10.1021/om0500063

data_4060493
_publ_section_title
;
 Electron-Poor Pentafluorophenyl-Substituted PCP--Palladium Pincer Complexes
;
_journal_coden_ASTM              INOCAJ
_journal_issue                   9
_journal_name_full               Organometallics
_journal_page_first              2016
_journal_page_last               2019
_journal_paper_doi               10.1021/om0500063
_journal_volume                  24
_journal_year                    2005
_chemical_formula_moiety         'C32 H7 Cl F20 P2 Pd, 2.1(C7 H8)'
_chemical_formula_sum            'C46.7 H23.8 Cl F20 P2 Pd'
_chemical_formula_weight         1168.65
_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                 122.5592(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   15.4853(1)
_cell_length_b                   13.6515(1)
_cell_length_c                   26.0274(2)
_cell_measurement_temperature    150(2)
_cell_volume                     4637.39(6)
_diffrn_ambient_temperature      150(2)
_exptl_crystal_density_diffrn    1.674
_cod_duplicate_entry             1100894
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_original_formula_sum        'C46.70 H23.80 Cl F20 P2 Pd'
_cod_database_code               4060493
; Organometallics  (2005) –; doi:10.1021/om050010e

data_4060494
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om050010e
_journal_year                    2005
_chemical_formula_moiety         ' C72 H92 B1 F24.00 N8 Rh1 Si4 '
_chemical_formula_sum            'C72 H92 B F24 N8 Rh Si4'
_chemical_formula_weight         1751.59
_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                 108.762(8)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   21.8271(15)
_cell_length_b                   19.8107(15)
_cell_length_c                   19.5029(16)
_cell_measurement_temperature    173
_cell_volume                     7985.1(11)
_diffrn_ambient_temperature      173
_exptl_crystal_density_diffrn    1.457
_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        ' C72 H92 B1 F24.00 N8 Rh1 Si4 '
_cod_database_code               4060494
; Organometallics  (2005) –; doi:10.1021/om050010e

data_4060495
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om050010e
_journal_year                    2005
_chemical_formula_moiety         ' C72 H100 B1 F24 N8 Rh1 Si4 '
_chemical_formula_sum            'C72 H100 B F24 N8 Rh Si4'
_chemical_formula_weight         1759.65
_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                 103.192(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   20.9469(6)
_cell_length_b                   20.6092(6)
_cell_length_c                   19.3746(4)
_cell_measurement_temperature    173
_cell_volume                     8143.3(4)
_diffrn_ambient_temperature      173
_exptl_crystal_density_diffrn    1.435
_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        ' C72 H100 B1 F24 N8 Rh1 Si4 '
_cod_database_code               4060495
A Bimetallic Ruthenium Ethylene Complex as a Catalyst Precursor for the Kharasch
Quebatte, Laurent; Solari, Euro; Scopelliti, Rosario; Severin, Kay; Organometallics  (2005) –; doi:10.1021/om050027x

data_4060502
_publ_section_title
;
A Bimetallic Ruthenium Ethylene Complex as a Catalyst Precursor for the Kharasch
;
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om050027x
_journal_year                    2005
_chemical_formula_moiety         'C30 H51 Cl4 P Ru2, C7 H8'
_chemical_formula_sum            'C37 H59 Cl4 P Ru2'
_chemical_formula_weight         878.75
_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                94.104(5)
_cell_angle_beta                 92.837(5)
_cell_angle_gamma                113.374(5)
_cell_formula_units_Z            2
_cell_length_a                   9.6834(5)
_cell_length_b                   10.1191(6)
_cell_length_c                   21.2946(13)
_cell_measurement_temperature    140(2)
_cell_volume                     1903.54(18)
_diffrn_ambient_temperature      140(2)
_exptl_crystal_density_diffrn    1.533
_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               4060502
A Bimetallic Ruthenium Ethylene Complex as a Catalyst Precursor for the Kharasch
Quebatte, Laurent; Solari, Euro; Scopelliti, Rosario; Severin, Kay; Organometallics  (2005) –; doi:10.1021/om050027x

data_4060503
_publ_section_title
;
A Bimetallic Ruthenium Ethylene Complex as a Catalyst Precursor for the Kharasch
;
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om050027x
_journal_year                    2005
_chemical_formula_moiety         'C28 H47 Cl5 P Ru2, C Cl4'
_chemical_formula_sum            'C29 H47 Cl9 P Ru2'
_chemical_formula_weight         947.83
_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                 118.213(8)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   20.3160(16)
_cell_length_b                   10.0742(7)
_cell_length_c                   21.2411(16)
_cell_measurement_temperature    140(2)
_cell_volume                     3830.9(5)
_diffrn_ambient_temperature      140(2)
_exptl_crystal_density_diffrn    1.643
_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               4060503
Reactions of Diamidonaphthalene-Bridged Diiridium Tetrahydride with Alkynes: Hydrogenation, Vinylidene Formation, and Catalytic C-C Coupling
Jimenez, M. V.; Sola, E.; Lahoz, F. J.; Oro, L. A.; Organometallics 24 (2005) 2722–2729; doi:10.1021/om050044m

data_4060505
_publ_section_title
;
Reactions of Diamidonaphthalene-Bridged Diiridium Tetrahydride with Alkynes: 
Hydrogenation, Vinylidene Formation, and Catalytic C-C Coupling
;
_journal_issue                   11
_journal_name_full               Organometallics
_journal_page_first              2722
_journal_page_last               2729
_journal_paper_doi               10.1021/om050044m
_journal_volume                  24
_journal_year                    2005
_chemical_formula_moiety         'C44 H86 Ir2 N2 P2 Si4'
_chemical_formula_sum            'C44 H86 Ir2 N2 P2 Si4'
_chemical_formula_weight         1201.85
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                87.897(2)
_cell_angle_beta                 77.029(2)
_cell_angle_gamma                84.659(2)
_cell_formula_units_Z            2
_cell_length_a                   12.0806(11)
_cell_length_b                   14.2020(13)
_cell_length_c                   16.3161(14)
_cell_measurement_temperature    173(2)
_cell_volume                     2715.7(4)
_diffrn_ambient_temperature      173(2)
_exptl_crystal_density_diffrn    1.470
_cod_database_code               4060505
Reactions of Diamidonaphthalene-Bridged Diiridium Tetrahydride with Alkynes: Hydrogenation, Vinylidene Formation, and Catalytic C-C Coupling
Jimenez, M. V.; Sola, E.; Lahoz, F. J.; Oro, L. A.; Organometallics 24 (2005) 2722–2729; doi:10.1021/om050044m

data_4060506
_publ_section_title
;
Reactions of Diamidonaphthalene-Bridged Diiridium Tetrahydride with Alkynes: 
Hydrogenation, Vinylidene Formation, and Catalytic C-C Coupling
;
_journal_issue                   11
_journal_name_full               Organometallics
_journal_page_first              2722
_journal_page_last               2729
_journal_paper_doi               10.1021/om050044m
_journal_volume                  24
_journal_year                    2005
_chemical_formula_moiety         'C29 H54 Ir2 N2 O P2'
_chemical_formula_sum            'C29 H54 Ir2 N2 O P2'
_chemical_formula_weight         893.08
_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                 100.095(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   8.0028(7)
_cell_length_b                   18.7066(17)
_cell_length_c                   21.5672(19)
_cell_measurement_temperature    100(2)
_cell_volume                     3178.7(5)
_diffrn_ambient_temperature      100(2)
_exptl_crystal_density_diffrn    1.866
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               4060506
Phosphine-Induced Ancillary Ligand Orthometalation at a Tantalum-Tantalum Double Bond
Shaver, Michael P.; Fryzuk, Michael D.; Organometallics 24 (2005) 2606–2611; doi:10.1021/om050045e

data_4060507
_publ_section_title
;
Phosphine-Induced Ancillary Ligand Orthometalation at a Tantalum-Tantalum 
Double Bond
;
_journal_issue                   11
_journal_name_full               Organometallics
_journal_page_first              2606
_journal_page_last               2611
_journal_paper_doi               10.1021/om050045e
_journal_volume                  24
_journal_year                    2005
_chemical_formula_moiety         'C60 H92 N4 P3 Si4 Ta2'
_chemical_formula_sum            'C60 H92 N4 P3 Si4 Ta2'
_chemical_formula_weight         1436.55
_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                81.286(4)
_cell_angle_beta                 77.613(4)
_cell_angle_gamma                73.064(4)
_cell_formula_units_Z            2
_cell_length_a                   11.2799(2)
_cell_length_b                   13.4464(4)
_cell_length_c                   22.9421(7)
_cell_measurement_temperature    173(2)
_cell_volume                     3236.53(15)
_diffrn_ambient_temperature      173(2)
_exptl_crystal_density_diffrn    1.474
_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               4060507