LMucko/crystallography-open-database huggingface dataset:
Chemistry of C-Trimethylsilyl-Substituted Heterocarboranes. 29. Synthetic and Structural Studies on Lanthanacarboranes with Two and Three "Carbons Apart" Carborane Cages Bonding to Ln(III) Metal (Ln(III) = Nd, Gd, Dy, Ho, Er, Tb, Lu)
Wang, Jianhui; Li, Shoujian; Zheng, Chong; Maguire, John A.; Sarkar, Biprajit; Kaim, Wolfgang; Hosmane, Narayan S.; Organometallics 22 (2003) 4334–4342; doi:10.1021/om030426x

data_4062268
_publ_section_title
;
 Chemistry of C-Trimethylsilyl-Substituted Heterocarboranes.
 29. Synthetic and Structural Studies on Lanthanacarboranes with Two
 and Three "Carbons Apart" Carborane Cages Bonding to Ln(III) Metal
 (Ln(III) = Nd, Gd, Dy, Ho, Er, Tb, Lu)
;
_journal_issue                   21
_journal_name_full               Organometallics
_journal_page_first              4334
_journal_page_last               4342
_journal_paper_doi               10.1021/om030426x
_journal_volume                  22
_journal_year                    2003
_chemical_formula_sum            'C39 H89 B12 Er Na3 Si6'
_chemical_formula_weight         1092.59
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 92.035(4)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   11.978(3)
_cell_length_b                   19.115(4)
_cell_length_c                   26.350(6)
_cell_measurement_temperature    173(2)
_cell_volume                     6029(2)
_diffrn_ambient_temperature      173(2)
_exptl_crystal_density_diffrn    1.204
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               4062268
; Organometallics  (2003) –; doi:

data_4062269
_journal_name_full               Organometallics
_journal_year                    2003
_chemical_formula_sum            'C29 H46 Ru2 Si2'
_chemical_formula_weight         652.98
_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                94.45(2)
_cell_angle_beta                 90.57(2)
_cell_angle_gamma                99.325(16)
_cell_formula_units_Z            4
_cell_length_a                   14.602(3)
_cell_length_b                   18.901(3)
_cell_length_c                   11.238(4)
_cell_measurement_temperature    296(2)
_cell_volume                     3050.6(13)
_diffrn_ambient_temperature      296(2)
_exptl_crystal_density_diffrn    1.422
_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               4062269
Alkynyl Gold(I) Rigid-Rod Molecules from 1,12-Bis(ethynyl)-1,12-dicarba-closo-dodecaborane(12)
Vicente, José; Chicote, María-Teresa; Alvarez-Falcón, Miguel M.; Fox, Mark A.; Bautista, Delia; Organometallics 22 (2003) 4792–4797; doi:10.1021/om0304311

data_4062270
_publ_section_title
;
 Alkynyl Gold(I) Rigid-Rod Molecules from
 1,12-Bis(ethynyl)-1,12-dicarba-closo-dodecaborane(12)
;
_journal_issue                   23
_journal_name_full               Organometallics
_journal_page_first              4792
_journal_page_last               4797
_journal_paper_doi               10.1021/om0304311
_journal_volume                  22
_journal_year                    2003
_chemical_formula_sum            'C49 H53 Au B20 Cl3 N P2'
_chemical_formula_weight         1237.38
_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                 91.6690(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   22.9998(15)
_cell_length_b                   14.5902(10)
_cell_length_c                   17.1371(11)
_cell_measurement_temperature    100(2)
_cell_volume                     5748.3(7)
_diffrn_ambient_temperature      100(2)
_exptl_crystal_density_diffrn    1.430
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               4062270
Alkynyl Gold(I) Rigid-Rod Molecules from 1,12-Bis(ethynyl)-1,12-dicarba-closo-dodecaborane(12)
Vicente, José; Chicote, María-Teresa; Alvarez-Falcón, Miguel M.; Fox, Mark A.; Bautista, Delia; Organometallics 22 (2003) 4792–4797; doi:10.1021/om0304311

data_4062271
_publ_section_title
;
 Alkynyl Gold(I) Rigid-Rod Molecules from
 1,12-Bis(ethynyl)-1,12-dicarba-closo-dodecaborane(12)
;
_journal_issue                   23
_journal_name_full               Organometallics
_journal_page_first              4792
_journal_page_last               4797
_journal_paper_doi               10.1021/om0304311
_journal_volume                  22
_journal_year                    2003
_chemical_formula_sum            'C50 H56 Au2 B10 Cl4 O6 P2'
_chemical_formula_weight         1458.72
_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                 105.662(5)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   13.2942(9)
_cell_length_b                   12.0671(13)
_cell_length_c                   19.2784(13)
_cell_measurement_temperature    173(2)
_cell_volume                     2977.9(4)
_diffrn_ambient_temperature      173(2)
_exptl_crystal_density_diffrn    1.627
_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               4062271
Cis-bischelated Pd(II) complexes from ortho-mercurated tricarbonyl(eta-6-arene)chromium complexes
Berger Alexsandro; Djukic Jean-Pierre; Pfeffer Michel; Lacour Jerome; Vial Laurent; deCian Andre; Kyritsakas-Gruber Nathalie; Organometallics  (2003) –; doi:

data_4062272
_publ_section_title
;
Cis-bischelated Pd(II) complexes from ortho-mercurated
tricarbonyl(eta-6-arene)chromium complexes
;
_journal_name_full               Organometallics
_journal_year                    2003
_chemical_formula_moiety         'C23 H20 Cr N2 O3 Pd'
_chemical_formula_sum            'C23 H20 Cr N2 O3 Pd'
_chemical_formula_weight         530.82
_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
_cell_angle_beta                 103.800(5)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   11.0250(3)
_cell_length_b                   16.3553(4)
_cell_length_c                   11.6928(3)
_cell_measurement_temperature    173
_cell_volume                     2047.55(9)
_diffrn_ambient_temperature      173
_exptl_crystal_density_diffrn    1.72
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               4062272
Cis-bischelated Pd(II) complexes from ortho-mercurated tricarbonyl(eta-6-arene)chromium complexes
Berger Alexsandro; Djukic Jean-Pierre; Pfeffer Michel; Lacour Jerome; Vial Laurent; deCian Andre; Kyritsakas-Gruber Nathalie; Organometallics  (2003) –; doi:

data_4062273
_publ_section_title
;
Cis-bischelated Pd(II) complexes from ortho-mercurated
tricarbonyl(eta-6-arene)chromium complexes
;
_journal_name_full               Organometallics
_journal_year                    2003
_chemical_formula_moiety         'C25 H16 Cr N2 O3 Pd'
_chemical_formula_sum            'C25 H16 Cr N2 O3 Pd'
_chemical_formula_weight         550.81
_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                 95.678(5)
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   28.457(2)
_cell_length_b                   11.4642(8)
_cell_length_c                   14.7537(9)
_cell_measurement_temperature    173
_cell_volume                     4789.6(5)
_diffrn_ambient_temperature      173
_exptl_crystal_density_diffrn    1.53
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               4062273
Accurate Molecular Structures of 16-Electron Rhodium Hydrido Boryl Complexes: Low-Temperature Single-Crystal X-ray and Neutron Diffraction and Computational Studies of [(PR~3~)~2~RhHCl(Boryl)] (Boryl = Bpin, Bcat)
Lam, Wai Han; Shimada, Shigeru; Batsanov, Andrei S.; Lin, Zhenyang; Marder, Todd B.; Cowan, John A.; Howard, Judith A. K.; Mason, Sax A.; McIntyre, Garry J.; Organometallics 22 (2003) 4557–4568; doi:10.1021/om030434d

data_4062274
_publ_section_title
;
 Accurate Molecular Structures of 16-Electron Rhodium Hydrido Boryl
 Complexes: Low-Temperature Single-Crystal X-ray and Neutron Diffraction
 and Computational Studies of [(PR~3~)~2~RhHCl(Boryl)] (Boryl = Bpin, Bcat)
;
_journal_issue                   22
_journal_name_full               Organometallics
_journal_page_first              4557
_journal_page_last               4568
_journal_paper_doi               10.1021/om030434d
_journal_volume                  22
_journal_year                    2003
_chemical_formula_moiety         'C24 H55 B Cl O2 P2 Rh'
_chemical_formula_sum            'C24 H55 B Cl O2 P2 Rh'
_chemical_formula_weight         586.79
_chemical_name_common
chloro-hydrido-pinacolboryl-bis(triisopropylphosphine)rhodium
_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                 91.12(1)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   10.691(1)
_cell_length_b                   14.990(1)
_cell_length_c                   19.129(1)
_cell_measurement_temperature    120(2)
_cell_volume                     3065.0(4)
_diffrn_ambient_temperature      120(2)
_exptl_crystal_density_diffrn    1.272
_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               4062274
Accurate Molecular Structures of 16-Electron Rhodium Hydrido Boryl Complexes: Low-Temperature Single-Crystal X-ray and Neutron Diffraction and Computational Studies of [(PR~3~)~2~RhHCl(Boryl)] (Boryl = Bpin, Bcat)
Lam, Wai Han; Shimada, Shigeru; Batsanov, Andrei S.; Lin, Zhenyang; Marder, Todd B.; Cowan, John A.; Howard, Judith A. K.; Mason, Sax A.; McIntyre, Garry J.; Organometallics 22 (2003) 4557–4568; doi:10.1021/om030434d

data_4062275
_publ_section_title
;
 Accurate Molecular Structures of 16-Electron Rhodium Hydrido Boryl
 Complexes: Low-Temperature Single-Crystal X-ray and Neutron Diffraction
 and Computational Studies of [(PR~3~)~2~RhHCl(Boryl)] (Boryl = Bpin, Bcat)
;
_journal_issue                   22
_journal_name_full               Organometallics
_journal_page_first              4557
_journal_page_last               4568
_journal_paper_doi               10.1021/om030434d
_journal_volume                  22
_journal_year                    2003
_chemical_formula_moiety         'C24 H55 B Cl O2 P2 Rh'
_chemical_formula_sum            'C24 H55 B Cl O2 P2 Rh'
_chemical_formula_weight         585.00
_chemical_name_common
chloro-hydrido-pinacolboryl-bis(triisopropylphosphine)rhodium
_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                 90.688(4)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   10.6365(8)
_cell_length_b                   14.9025(12)
_cell_length_c                   19.1829(14)
_cell_measurement_temperature    20(2)
_cell_volume                     3040.5(4)
_diffrn_ambient_temperature      20(2)
_exptl_crystal_density_diffrn    1.278
_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               4062275
Accurate Molecular Structures of 16-Electron Rhodium Hydrido Boryl Complexes: Low-Temperature Single-Crystal X-ray and Neutron Diffraction and Computational Studies of [(PR~3~)~2~RhHCl(Boryl)] (Boryl = Bpin, Bcat)
Lam, Wai Han; Shimada, Shigeru; Batsanov, Andrei S.; Lin, Zhenyang; Marder, Todd B.; Cowan, John A.; Howard, Judith A. K.; Mason, Sax A.; McIntyre, Garry J.; Organometallics 22 (2003) 4557–4568; doi:10.1021/om030434d

data_4062276
_publ_section_title
;
 Accurate Molecular Structures of 16-Electron Rhodium Hydrido Boryl
 Complexes: Low-Temperature Single-Crystal X-ray and Neutron Diffraction
 and Computational Studies of [(PR~3~)~2~RhHCl(Boryl)] (Boryl = Bpin, Bcat)
;
_journal_issue                   22
_journal_name_full               Organometallics
_journal_page_first              4557
_journal_page_last               4568
_journal_paper_doi               10.1021/om030434d
_journal_volume                  22
_journal_year                    2003
_chemical_formula_moiety         'C24 H47 B Cl O2 P2 Rh'
_chemical_formula_sum            'C24 H47 B Cl O2 P2 Rh'
_chemical_formula_weight         578.73
_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                 102.28(4)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   11.228(3)
_cell_length_b                   11.101(3)
_cell_length_c                   23.414(7)
_cell_measurement_temperature    120(2)
_cell_volume                     2851.6(14)
_diffrn_ambient_temperature      120(2)
_exptl_crystal_density_diffrn    1.348
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               4062276
Accurate Molecular Structures of 16-Electron Rhodium Hydrido Boryl Complexes: Low-Temperature Single-Crystal X-ray and Neutron Diffraction and Computational Studies of [(PR~3~)~2~RhHCl(Boryl)] (Boryl = Bpin, Bcat)
Lam, Wai Han; Shimada, Shigeru; Batsanov, Andrei S.; Lin, Zhenyang; Marder, Todd B.; Cowan, John A.; Howard, Judith A. K.; Mason, Sax A.; McIntyre, Garry J.; Organometallics 22 (2003) 4557–4568; doi:10.1021/om030434d

data_4062277
_publ_section_title
;
 Accurate Molecular Structures of 16-Electron Rhodium Hydrido Boryl
 Complexes: Low-Temperature Single-Crystal X-ray and Neutron Diffraction
 and Computational Studies of [(PR~3~)~2~RhHCl(Boryl)] (Boryl = Bpin, Bcat)
;
_journal_issue                   22
_journal_name_full               Organometallics
_journal_page_first              4557
_journal_page_last               4568
_journal_paper_doi               10.1021/om030434d
_journal_volume                  22
_journal_year                    2003
_chemical_formula_moiety         'C24 H47 B Cl O2 P2 Rh'
_chemical_formula_sum            'C24 H47 B Cl O2 P2 Rh'
_chemical_formula_weight         577.00
_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                 102.32(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   11.181(3)
_cell_length_b                   11.050(3)
_cell_length_c                   23.233(7)
_cell_measurement_temperature    20(2)
_cell_volume                     2804.3(14)
_diffrn_ambient_temperature      20(2)
_exptl_crystal_density_diffrn    1.367
_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               4062277
Synthesis and Unusual Thermal Behavior of (Lithium phosphino/amino) Difluorosilanes
Ionkin, Alex S.; Marshall, William J.; Organometallics 22 (2003) 4136–4144; doi:10.1021/om0304412

data_4062278
_publ_section_title
;
 Synthesis and Unusual Thermal Behavior of (Lithium phosphino/amino)
 Difluorosilanes
;
_journal_issue                   20
_journal_name_full               Organometallics
_journal_page_first              4136
_journal_page_last               4144
_journal_paper_doi               10.1021/om0304412
_journal_volume                  22
_journal_year                    2003
_chemical_formula_sum            'C36 H49 F3 Si'
_chemical_formula_weight         566.84
_space_group_IT_number           57
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2c 2b'
_symmetry_space_group_name_H-M   'P b c m'
_cell_angle_alpha                90.0000(10)
_cell_angle_beta                 90.0000(10)
_cell_angle_gamma                90.0000(10)
_cell_formula_units_Z            4
_cell_length_a                   10.9519(11)
_cell_length_b                   12.0840(12)
_cell_length_c                   25.473(3)
_cell_measurement_temperature    163(2)
_cell_volume                     3371.2(6)
_diffrn_ambient_temperature      163(2)
_exptl_crystal_density_diffrn    1.117
_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               4062278
Synthesis and Unusual Thermal Behavior of (Lithium phosphino/amino) Difluorosilanes
Ionkin, Alex S.; Marshall, William J.; Organometallics 22 (2003) 4136–4144; doi:10.1021/om0304412

data_4062279
_publ_section_title
;
 Synthesis and Unusual Thermal Behavior of (Lithium phosphino/amino)
 Difluorosilanes
;
_journal_issue                   20
_journal_name_full               Organometallics
_journal_page_first              4136
_journal_page_last               4144
_journal_paper_doi               10.1021/om0304412
_journal_volume                  22
_journal_year                    2003
_chemical_formula_sum            'C47 H74 F2 Li O2 P Si2'
_chemical_formula_weight         803.15
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-I 2ya'
_symmetry_space_group_name_H-M   'I 1 2/a 1'
_cell_angle_alpha                90.0000(10)
_cell_angle_beta                 96.492(17)
_cell_angle_gamma                90.0000(10)
_cell_formula_units_Z            8
_cell_length_a                   35.59(3)
_cell_length_b                   11.096(10)
_cell_length_c                   25.75(2)
_cell_measurement_temperature    293(2)
_cell_volume                     10104(15)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.056
_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      'I 2/a'
_cod_database_code               4062279
Synthesis and Unusual Thermal Behavior of (Lithium phosphino/amino) Difluorosilanes
Ionkin, Alex S.; Marshall, William J.; Organometallics 22 (2003) 4136–4144; doi:10.1021/om0304412

data_4062280
_publ_section_title
;
 Synthesis and Unusual Thermal Behavior of (Lithium phosphino/amino)
 Difluorosilanes
;
_journal_issue                   20
_journal_name_full               Organometallics
_journal_page_first              4136
_journal_page_last               4144
_journal_paper_doi               10.1021/om0304412
_journal_volume                  22
_journal_year                    2003
_chemical_formula_sum            'C42 H55 F N Si'
_chemical_formula_weight         620.96
_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                90.0000(10)
_cell_angle_beta                 109.335(2)
_cell_angle_gamma                90.0000(10)
_cell_formula_units_Z            4
_cell_length_a                   13.9095(17)
_cell_length_b                   15.979(2)
_cell_length_c                   17.970(2)
_cell_measurement_temperature    293(2)
_cell_volume                     3768.8(8)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.094
_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               4062280