LMucko/crystallography-open-database huggingface dataset:
Nickel and Platinum sigma-Bonded Derivatives of Corannulene
Hanbaek Lee; Paul R. Sharp; Organometallics  (2005) –; doi:10.1021/om050464b

data_4061644
_publ_section_title
;
 Nickel and Platinum sigma-Bonded Derivatives of Corannulene
;
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om050464b
_journal_year                    2005
_chemical_formula_sum            'C47.5 H70.37 Br3.63 P4 Pt2'
_chemical_formula_weight         1445.54
_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                 96.5830(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   9.6046(4)
_cell_length_b                   27.3175(11)
_cell_length_c                   20.0055(9)
_cell_measurement_temperature    173(2)
_cell_volume                     5214.3(4)
_diffrn_ambient_temperature      173(2)
_exptl_crystal_density_diffrn    1.841
_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        'C47.50 H70.37 Br3.63 P4 Pt2'
_cod_database_code               4061644
2,6-Bis(3,5-dimethylpyrazol-1-yl)pyridine: A Useful Pseudo N3 Ligand in Efficient Ruthenium(II)-Catalyzed Transfer Hydrogenation of Ketones
Haixia Deng, Zhengkun Yu, Jinhua Dong, Sizhong Wu; Organometallics  (2005) –; doi:10.1021/om050467o

data_4061645
_publ_section_title
;
2,6-Bis(3,5-dimethylpyrazol-1-yl)pyridine: A Useful Pseudo
N3 Ligand in Efficient
Ruthenium(II)-Catalyzed Transfer Hydrogenation of Ketones
;
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om050467o
_journal_year                    2005
_chemical_formula_sum            'C34 H34 Cl4 N5 P Ru'
_chemical_formula_weight         786.50
_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                 93.152(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   11.7563(9)
_cell_length_b                   17.1373(14)
_cell_length_c                   17.3475(13)
_cell_measurement_temperature    293(2)
_cell_volume                     3489.7(5)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.497
_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               4061645
; Organometallics  (2005) –; doi:10.1021/om0504708

data_4061646
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om0504708
_journal_year                    2005
_chemical_formula_sum            'C94 H90 N2 O10 P4 Pd3 Re2'
_chemical_formula_weight         2223.16
_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                   14.63350(10)
_cell_length_b                   23.3173(2)
_cell_length_c                   25.5322(2)
_cell_measurement_temperature    173(2)
_cell_volume                     8711.94(12)
_diffrn_ambient_temperature      173(2)
_exptl_crystal_density_diffrn    1.695
_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               4061646
The First Structural Characterization of alpha-Zincated (Reformatsky) Amides and Phosphine Oxides
; Organometallics  (2005) –; doi:10.1021/om050474c

data_4061647
_publ_section_title
;
The First Structural Characterization of alpha-Zincated (Reformatsky)
Amides and Phosphine Oxides
;
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om050474c
_journal_year                    2005
_chemical_formula_sum            'C32 H36 N4 O Zn2'
_chemical_formula_weight         623.39
_chemical_name_common            LZn2Ph2
_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                 96.1510(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   18.0749(7)
_cell_length_b                   10.7323(4)
_cell_length_c                   29.8231(11)
_cell_measurement_temperature    137(2)
_cell_volume                     5751.9(4)
_diffrn_ambient_temperature      137(2)
_exptl_crystal_density_diffrn    1.440
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               4061647
The First Structural Characterization of alpha-Zincated (Reformatsky) Amides and Phosphine Oxides
; Organometallics  (2005) –; doi:10.1021/om050474c

data_4061648
_publ_section_title
;
The First Structural Characterization of alpha-Zincated (Reformatsky)
Amides and Phosphine Oxides
;
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om050474c
_journal_year                    2005
_chemical_formula_sum            'C41.5 H66 N4 O3 P2 Zn2'
_chemical_formula_weight         861.66
_chemical_name_common            LZn2Ph2(OPMe3)2
_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                81.638(2)
_cell_angle_beta                 75.0990(10)
_cell_angle_gamma                83.2870(10)
_cell_formula_units_Z            2
_cell_length_a                   10.6982(5)
_cell_length_b                   13.7628(7)
_cell_length_c                   15.2245(7)
_cell_measurement_temperature    154(2)
_cell_volume                     2135.78(18)
_diffrn_ambient_temperature      154(2)
_exptl_crystal_density_diffrn    1.340
_cod_database_code               4061648
The First Structural Characterization of alpha-Zincated (Reformatsky) Amides and Phosphine Oxides
; Organometallics  (2005) –; doi:10.1021/om050474c

data_4061649
_publ_section_title
;
The First Structural Characterization of alpha-Zincated (Reformatsky)
Amides and Phosphine Oxides
;
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om050474c
_journal_year                    2005
_chemical_formula_sum            'C26 H42 N4 O3 P2 Zn2'
_chemical_formula_weight         651.32
_chemical_name_common            LZn2[CH2P(O)Me2]2
_space_group_IT_number           13
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yac'
_symmetry_space_group_name_H-M   'P 1 2/n 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 107.6550(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   13.3940(5)
_cell_length_b                   10.8162(4)
_cell_length_c                   21.5733(9)
_cell_measurement_temperature    154(2)
_cell_volume                     2978.2(2)
_diffrn_ambient_temperature      154(2)
_exptl_crystal_density_diffrn    1.453
_cod_original_sg_symbol_H-M      'P 2/n'
_cod_database_code               4061649
The First Structural Characterization of alpha-Zincated (Reformatsky) Amides and Phosphine Oxides
; Organometallics  (2005) –; doi:10.1021/om050474c

data_4061650
_publ_section_title
;
The First Structural Characterization of alpha-Zincated (Reformatsky)
Amides and Phosphine Oxides
;
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om050474c
_journal_year                    2005
_chemical_formula_sum            'C28 H42 N6 O3 Zn2'
_chemical_formula_weight         641.42
_chemical_name_common            LZn2[CH2C(O)NMe2]2
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 98.982(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   10.0092(9)
_cell_length_b                   12.9116(12)
_cell_length_c                   22.700(2)
_cell_measurement_temperature    155(2)
_cell_volume                     2897.6(5)
_diffrn_ambient_temperature      155(2)
_exptl_crystal_density_diffrn    1.470
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               4061650
Kubicki, Maciej; Kownacki, Ireneusz; Marciniec, Bogdan; Organometallics  (2005) –; doi:10.1021/om050478h

data_4061651
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om050478h
_journal_year                    2005
_chemical_formula_moiety         'C23 H42 Ir O3 P Si'
_chemical_formula_sum            'C23 H42 Ir O3 P Si'
_chemical_formula_weight         617.83
_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                80.797(5)
_cell_angle_beta                 85.881(5)
_cell_angle_gamma                66.447(6)
_cell_formula_units_Z            2
_cell_length_a                   9.8328(6)
_cell_length_b                   10.2516(6)
_cell_length_c                   14.9852(9)
_cell_measurement_temperature    293(2)
_cell_volume                     1366.82(16)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.501
_cod_database_code               4061651
; Organometallics  (2005) –; doi:10.1021/om050484d

data_4061652
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om050484d
_journal_year                    2005
_chemical_formula_moiety         'C12 H15 Cr N O3'
_chemical_formula_sum            'C12 H15 Cr N O3'
_chemical_formula_weight         273.25
_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                 91.057(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   7.0927(8)
_cell_length_b                   13.3643(14)
_cell_length_c                   12.5749(13)
_cell_measurement_temperature    173(2)
_cell_volume                     1191.8(2)
_diffrn_ambient_temperature      173(2)
_exptl_crystal_density_diffrn    1.523
_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               4061652
; Organometallics  (2005) –; doi:10.1021/om050484d

data_4061653
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om050484d
_journal_year                    2005
_chemical_formula_moiety         'C12 H15 Mo N O3'
_chemical_formula_sum            'C12 H15 Mo N O3'
_chemical_formula_weight         317.19
_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                 93.127(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   7.1688(8)
_cell_length_b                   13.5094(14)
_cell_length_c                   12.6905(13)
_cell_measurement_temperature    173(2)
_cell_volume                     1227.2(2)
_diffrn_ambient_temperature      173(2)
_exptl_crystal_density_diffrn    1.717
_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               4061653
; Organometallics  (2005) –; doi:10.1021/om050484d

data_4061654
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om050484d
_journal_year                    2005
_chemical_formula_moiety         'C12 H15 N O3 W'
_chemical_formula_sum            'C12 H15 N O3 W'
_chemical_formula_weight         405.10
_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                 92.8780(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   7.1578(6)
_cell_length_b                   13.4710(12)
_cell_length_c                   12.6744(11)
_cell_measurement_temperature    173(2)
_cell_volume                     1220.56(18)
_diffrn_ambient_temperature      173(2)
_exptl_crystal_density_diffrn    2.205
_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               4061654
; Organometallics  (2005) –; doi:10.1021/om050484d

data_4061655
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om050484d
_journal_year                    2005
_chemical_formula_moiety         'C12 H16 N O3 W, Cl'
_chemical_formula_sum            'C12 H16 Cl N O3 W'
_chemical_formula_weight         441.56
_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                   26.028(4)
_cell_length_b                   8.0667(11)
_cell_length_c                   6.9001(10)
_cell_measurement_temperature    173(2)
_cell_volume                     1448.8(4)
_diffrn_ambient_temperature      173(2)
_exptl_crystal_density_diffrn    2.024
_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               4061655
; Organometallics  (2005) –; doi:10.1021/om050484d

data_4061656
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om050484d
_journal_year                    2005
_chemical_formula_moiety         'C30 H30 Au Mo N O3 P, Cl'
_chemical_formula_sum            'C30 H30 Au Cl Mo N O3 P'
_chemical_formula_weight         811.88
_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                 97.029(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   8.9559(9)
_cell_length_b                   23.828(2)
_cell_length_c                   14.0808(14)
_cell_measurement_temperature    173(2)
_cell_volume                     2982.3(5)
_diffrn_ambient_temperature      173(2)
_exptl_crystal_density_diffrn    1.808
_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               4061656
; Organometallics  (2005) –; doi:10.1021/om050484d

data_4061657
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om050484d
_journal_year                    2005
_chemical_formula_moiety         'C30 H30 Au N O3 P W, Cl'
_chemical_formula_sum            'C30 H30 Au Cl N O3 P W'
_chemical_formula_weight         899.79
_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                 115.381(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   15.541(2)
_cell_length_b                   23.874(3)
_cell_length_c                   17.795(3)
_cell_measurement_temperature    173(2)
_cell_volume                     5965.1(15)
_diffrn_ambient_temperature      173(2)
_exptl_crystal_density_diffrn    2.004
_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               4061657
; Organometallics  (2005) –; doi:10.1021/om050484d

data_4061658
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om050484d
_journal_year                    2005
_chemical_formula_moiety         'C30 H29 Au Cr N O3 P'
_chemical_formula_sum            'C30 H29 Au Cr N O3 P'
_chemical_formula_weight         731.48
_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                 106.889(6)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   11.169(4)
_cell_length_b                   19.417(8)
_cell_length_c                   13.637(5)
_cell_measurement_temperature    173(2)
_cell_volume                     2829.9(19)
_diffrn_ambient_temperature      173(2)
_exptl_crystal_density_diffrn    1.717
_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               4061658
; Organometallics  (2005) –; doi:10.1021/om050484d

data_4061659
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om050484d
_journal_year                    2005
_chemical_formula_moiety         'C30 H29 Au Mo N O3 P'
_chemical_formula_sum            'C30 H29 Au Mo N O3 P'
_chemical_formula_weight         775.42
_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                 109.127(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   11.8991(16)
_cell_length_b                   18.567(3)
_cell_length_c                   13.8647(19)
_cell_measurement_temperature    173(2)
_cell_volume                     2894.1(7)
_diffrn_ambient_temperature      173(2)
_exptl_crystal_density_diffrn    1.780
_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               4061659
The Cyclopentadienyl-Osmium Moiety as Template for the Formation of a Dihydronaphtylphosphine by Coupling between Phenylacetylene and an a-Alkenylphosphine
Baya, M.; Buil, M. L; Esteruelas, M. A.; Oñate, E.; Organometallics  (2005) –; doi:10.1021/om050487q

data_4061660
_publ_section_title
;
The Cyclopentadienyl-Osmium Moiety as Template for the Formation of a
Dihydronaphtylphosphine by Coupling between Phenylacetylene and an
a-Alkenylphosphine
;
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om050487q
_journal_year                    2005
_chemical_formula_sum            'C46 H50 B Os P'
_chemical_formula_weight         834.84
_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                88.271(4)
_cell_angle_beta                 80.540(3)
_cell_angle_gamma                89.024(3)
_cell_formula_units_Z            2
_cell_length_a                   10.1242(17)
_cell_length_b                   12.635(2)
_cell_length_c                   14.459(2)
_cell_measurement_temperature    100(2)
_cell_volume                     1823.4(5)
_diffrn_ambient_temperature      100(2)
_exptl_crystal_density_diffrn    1.521
_cod_database_code               4061660