LMucko/crystallography-open-database huggingface dataset:
Facile Assembly of a Cu9 Amido Complex: A New Tripodal Ligand Design that Promotes Transition Metal Cluster Formation
Samuel Johnson; Meghan Doster; Hua Han; Alana L. Keen; Chemical Communications  (2006) –; doi:10.1039/b517531c

data_7100835
_publ_section_title
;
Facile Assembly of a Cu9 Amido Complex: A New Tripodal
Ligand Design that Promotes Transition Metal Cluster Formation
;
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/b517531c
_journal_year                    2006
_chemical_formula_moiety         'C96 H99 Cu9 F36 N6 P2'
_chemical_formula_sum            'C96 H99 Cu9 F36 N6 P2'
_chemical_formula_weight         2653.91
_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
_cell_angle_beta                 119.442(8)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   20.570(3)
_cell_length_b                   21.151(3)
_cell_length_c                   28.401(3)
_cell_measurement_temperature    140(2)
_cell_measurement_wavelength     0.71073
_cell_volume                     10761(2)
_diffrn_ambient_temperature      140(2)
_exptl_crystal_density_diffrn    1.638
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               7100835
A N-heterocyclic carbene derived highly regioselective ambident C-C-S and C-C-N 1,3-dipolar system
Ying Cheng; Mei-Fang Liu; Bo Wang; Chemical Communications  (2006) –; doi:10.1039/b517700f

data_7100836
_publ_section_title
;
A N-heterocyclic carbene derived highly regioselective
ambident C-C-S and C-C-N 1,3-dipolar system
;
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/b517700f
_journal_year                    2006
_chemical_formula_sum            'C34 H29 N3 O4 S'
_chemical_formula_weight         575.66
_chemical_name_common
;
Dimethyl 1,3-dibenzyl-2'-phenylimino-2',3'-
dihydrospiro(benzimidazoline-2,3'-thiophene)-4',5'-dicarboxylate
;
_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                80.220(4)
_cell_angle_beta                 85.469(4)
_cell_angle_gamma                89.231(4)
_cell_formula_units_Z            4
_cell_length_a                   11.114(3)
_cell_length_b                   14.156(3)
_cell_length_c                   19.352(5)
_cell_measurement_temperature    293(2)
_cell_volume                     2991.0(12)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.278
_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               7100836
Structural Observation of Photochromism
M. Weller; J. A. Armstrong; Chemical Communications  (2006) –; doi:

data_7100837
_publ_section_title
;
Structural Observation of Photochromism
;
_journal_name_full               'Chemical Communications'
_journal_year                    2006
_chemical_formula_sum            'Al Cl Na O Si'
_space_group_IT_number           218
_symmetry_cell_setting           cubic
_symmetry_space_group_name_Hall  'P -4n 2 3'
_symmetry_space_group_name_H-M   'P -4 3 n'
_cell_angle_alpha                90.0
_cell_angle_beta                 90.0
_cell_angle_gamma                90.0
_cell_length_a                   8.88461(5)
_cell_length_b                   8.88461
_cell_length_c                   8.88461
_cell_volume                     701.318(15)
_cod_depositor_comments
;
The following automatic conversions were performed:
'_geom_bond_publ_flag' value 'N' changed to 'n' according to
'/home/saulius/struct/CIF-dictionaries/cif_core.dic' dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29 (37 times).

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_formula_sum        'Na Cl Si Al O'
_cod_database_code               7100837
Isolation and Structural Elucidation of a Ni0-Al(CH3)3 Bimetallic Complex with an Agostic alpha-C-H in a Bridging Methyl
Zhiqiang Weng; Shihui Teo; Lip Lin Koh; T.S.A. Hor; Chemical Communications  (2006) –; doi:10.1039/b517824j

data_7100838
_publ_section_title
;
Isolation and Structural Elucidation of a Ni0-Al(CH3)3
Bimetallic Complex with an Agostic alpha-C-H in a Bridging Methyl
;
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/b517824j
_journal_year                    2006
_chemical_formula_sum            'C40 H35 Al F5 Fe N Ni1.5 P'
_chemical_formula_weight         826.55
_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                70.2860(10)
_cell_angle_beta                 82.6990(10)
_cell_angle_gamma                80.6290(10)
_cell_formula_units_Z            2
_cell_length_a                   9.2968(6)
_cell_length_b                   13.3990(9)
_cell_length_c                   15.3641(11)
_cell_measurement_temperature    223(2)
_cell_volume                     1772.3(2)
_diffrn_ambient_temperature      223(2)
_exptl_crystal_density_diffrn    1.549
_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_original_formula_sum        'C40 H35 Al F5 Fe N Ni1.50 P'
_cod_database_code               7100838
pi-Indenyl tin(II) and lead(II) compounds
Alan Cowley; Jamie N. Jones; Chemical Communications  (2005) –; doi:10.1039/b410549d

data_7100839
_publ_section_title
;
pi-Indenyl tin(II) and lead(II) compounds
;
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/b410549d
_journal_year                    2005
_chemical_formula_sum            'C50 H76 Si4 Sn2'
_chemical_formula_weight         1026.85
_space_group_IT_number           18
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'P 2 2ab'
_symmetry_space_group_name_H-M   'P 21 21 2'
_cell_angle_alpha                90.000(5)
_cell_angle_beta                 90.000(5)
_cell_angle_gamma                90.000(5)
_cell_formula_units_Z            4
_cell_length_a                   21.232(5)
_cell_length_b                   24.238(5)
_cell_length_c                   10.398(5)
_cell_measurement_temperature    153(2)
_cell_volume                     5351(3)
_diffrn_ambient_temperature      153(2)
_exptl_crystal_density_diffrn    1.275
_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               7100839
pi-Indenyl tin(II) and lead(II) compounds
Alan Cowley; Jamie N. Jones; Chemical Communications  (2005) –; doi:10.1039/b410549d

data_7100840
_publ_section_title
;
pi-Indenyl tin(II) and lead(II) compounds
;
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/b410549d
_journal_year                    2005
_chemical_formula_sum            'C60 H92 Si8 Sn2'
_chemical_formula_weight         1275.44
_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                103.452(5)
_cell_angle_beta                 105.369(5)
_cell_angle_gamma                91.091(5)
_cell_formula_units_Z            2
_cell_length_a                   11.440(5)
_cell_length_b                   17.300(5)
_cell_length_c                   18.587(5)
_cell_measurement_temperature    153(2)
_cell_volume                     3437(2)
_diffrn_ambient_temperature      153(2)
_exptl_crystal_density_diffrn    1.232
_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               7100840
pi-Indenyl tin(II) and lead(II) compounds
Alan Cowley; Jamie N. Jones; Chemical Communications  (2005) –; doi:10.1039/b410549d

data_7100841
_publ_section_title
;
pi-Indenyl tin(II) and lead(II) compounds
;
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/b410549d
_journal_year                    2005
_chemical_formula_sum            'C100 H152 Pb4 Si8'
_chemical_formula_weight         2407.70
_space_group_IT_number           33
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'P 2c -2n'
_symmetry_space_group_name_H-M   'P n a 21'
_cell_angle_alpha                90.000(5)
_cell_angle_beta                 90.000(5)
_cell_angle_gamma                90.000(5)
_cell_formula_units_Z            4
_cell_length_a                   35.144(5)
_cell_length_b                   10.548(5)
_cell_length_c                   31.090(5)
_cell_measurement_temperature    153(2)
_cell_volume                     11525(6)
_diffrn_ambient_temperature      153(2)
_exptl_crystal_density_diffrn    1.388
_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               7100841
pi-Indenyl tin(II) and lead(II) compounds
Alan Cowley; Jamie N. Jones; Chemical Communications  (2005) –; doi:10.1039/b410549d

data_7100842
_publ_section_title
;
pi-Indenyl tin(II) and lead(II) compounds
;
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/b410549d
_journal_year                    2005
_chemical_formula_sum            'C23 H38 Ge0 Li O2 Si2'
_chemical_formula_weight         409.65
_space_group_IT_number           33
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'P 2c -2n'
_symmetry_space_group_name_H-M   'P n a 21'
_cell_angle_alpha                90.000(5)
_cell_angle_beta                 90.000(5)
_cell_angle_gamma                90.000(5)
_cell_formula_units_Z            4
_cell_length_a                   15.226(5)
_cell_length_b                   10.237(5)
_cell_length_c                   16.111(5)
_cell_measurement_temperature    153(2)
_cell_volume                     2511.2(17)
_diffrn_ambient_temperature      153(2)
_exptl_crystal_density_diffrn    1.084
_cod_database_code               7100842
A Facile and Versatile Preparation of Bilindiones and Biladienones from Tetraarylporphyrins
Tadashi Mizutani; Ho-Chol Chang; Hirotaka Furukawa; Shoji Horii; Susumu Kitagawa; Shigeyuki Masaoka; K. Wada; Takae Yamauchi; Chemical Communications  (2005) –; doi:10.1039/b414299c

data_7100843
_publ_section_title
;
A Facile and Versatile Preparation of Bilindiones and
Biladienones from Tetraarylporphyrins
;
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/b414299c
_journal_year                    2005
_chemical_formula_moiety         'C37 H26 N4 O2 '
_chemical_formula_sum            'C37 H26 N4 O2'
_chemical_formula_weight         558.64
_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
_cell_angle_beta                 100.031(4)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.905(1)
_cell_length_b                   22.765(4)
_cell_length_c                   21.913(4)
_cell_measurement_temperature    243.2
_cell_volume                     2900(1)
_exptl_crystal_density_diffrn    1.279
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_original_formula_sum        'C37 H26 N4 O2 '
_cod_database_code               7100843
One Teflon®-like Channelled Nanoporous Polymer with a Chiral and New Uninodal 4-connected Net. Sorption and catalityc properties.
Angeles Monge; Natalia Snejko; Enrique Gutierrez-Puebla; Manuela Medina; Concepcion Cascales; Marta Iglesias; Berta Gomez-Lor; Chemical Communications  (2005) –; doi:

data_7100844
_publ_section_title
;
One Teflon&#x00AE;-like Channelled Nanoporous Polymer with a Chiral and
New Uninodal 4-connected Net. Sorption and catalityc properties.
;
_journal_name_full               'Chemical Communications'
_journal_year                    2005
_chemical_formula_moiety         'C17.83 H8 F6 O4 Zn'
_chemical_formula_sum            'C17.83 H8 F6 O4 Zn'
_chemical_formula_weight         465.61
_space_group_IT_number           181
_symmetry_cell_setting           hexagonal
_symmetry_space_group_name_Hall  'P 64 2 (0 0 2)'
_symmetry_space_group_name_H-M   'P 64 2 2'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                120.00
_cell_formula_units_Z            6
_cell_length_a                   21.155(3)
_cell_length_b                   21.155(3)
_cell_length_c                   7.6632(13)
_cell_measurement_temperature    296(2)
_cell_volume                     2970.0(7)
_diffrn_ambient_temperature      296(2)
_exptl_crystal_density_diffrn    1.562
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Hexagonal' changed to 'hexagonal'
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               7100844
One Teflon®-like Channelled Nanoporous Polymer with a Chiral and New Uninodal 4-connected Net. Sorption and catalityc properties.
Angeles Monge; Natalia Snejko; Enrique Gutierrez-Puebla; Manuela Medina; Concepcion Cascales; Marta Iglesias; Berta Gomez-Lor; Chemical Communications  (2005) –; doi:10.1039/b415960h

data_7100845
_publ_section_title
;
One Teflon&#x00AE;-like Channelled Nanoporous Polymer with a Chiral and
New Uninodal 4-connected Net. Sorption and catalityc properties.
;
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/b415960h
_journal_year                    2005
_chemical_formula_moiety         'C17.17 H8 F6 O4 Zn'
_chemical_formula_sum            'C17.17 H8 F6 O4 Zn'
_chemical_formula_weight         457.61
_space_group_IT_number           144
_symmetry_cell_setting           trigonal
_symmetry_space_group_name_Hall  'P 31'
_symmetry_space_group_name_H-M   'P 31'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                120.00
_cell_formula_units_Z            6
_cell_length_a                   21.224(10)
_cell_length_b                   21.224(10)
_cell_length_c                   7.710(5)
_cell_measurement_temperature    296(2)
_cell_volume                     3008(3)
_diffrn_ambient_temperature      296(2)
_exptl_crystal_density_diffrn    1.516
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Trigonal' changed to 'trigonal' 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               7100845
Molecular Chairs, Zippers, Zigzag and Helical Chains: Chemical Enumeration of Supramolecular Isomerism Based on a Predesigned Metal-Organic Building Block
Jie-Peng Zhang; Yan-Yong Lin; Xiao-Chun Huang; Xiao-Ming Chen; Chemical Communications  (2005) –; doi:10.1039/b416095a

data_7100846
_publ_section_title
;
Molecular Chairs, Zippers, Zigzag and Helical Chains: Chemical
Enumeration of Supramolecular Isomerism Based on a Predesigned
Metal-Organic Building Block
;
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/b416095a
_journal_year                    2005
_chemical_formula_sum            'C12 H8 Cu N5'
_chemical_formula_weight         285.77
_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                 106.530(9)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   13.2428(9)
_cell_length_b                   19.5571(12)
_cell_length_c                   9.1855(7)
_cell_measurement_temperature    293(2)
_cell_volume                     2280.6(3)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.665
_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               7100846
Molecular Chairs, Zippers, Zigzag and Helical Chains: Chemical Enumeration of Supramolecular Isomerism Based on a Predesigned Metal-Organic Building Block
Jie-Peng Zhang; Yan-Yong Lin; Xiao-Chun Huang; Xiao-Ming Chen; Chemical Communications  (2005) –; doi:10.1039/b416095a

data_7100847
_publ_section_title
;
Molecular Chairs, Zippers, Zigzag and Helical Chains: Chemical
Enumeration of Supramolecular Isomerism Based on a Predesigned
Metal-Organic Building Block
;
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/b416095a
_journal_year                    2005
_chemical_formula_sum            'C12 H8 Cu N5'
_chemical_formula_weight         285.77
_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                 115.5060(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            12
_cell_length_a                   16.2147(11)
_cell_length_b                   18.5212(12)
_cell_length_c                   12.5482(8)
_cell_measurement_temperature    293(2)
_cell_volume                     3401.2(4)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.674
_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               7100847
Molecular Chairs, Zippers, Zigzag and Helical Chains: Chemical Enumeration of Supramolecular Isomerism Based on a Predesigned Metal-Organic Building Block
Jie-Peng Zhang; Yan-Yong Lin; Xiao-Chun Huang; Xiao-Ming Chen; Chemical Communications  (2005) –; doi:10.1039/b416095a

data_7100848
_publ_section_title
;
Molecular Chairs, Zippers, Zigzag and Helical Chains: Chemical
Enumeration of Supramolecular Isomerism Based on a Predesigned
Metal-Organic Building Block
;
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/b416095a
_journal_year                    2005
_chemical_formula_sum            'C12 H8 Cu N5'
_chemical_formula_weight         285.77
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 108.410(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   11.6326(9)
_cell_length_b                   9.6838(7)
_cell_length_c                   11.1798(9)
_cell_measurement_temperature    293(2)
_cell_volume                     1194.93(16)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.589
_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               7100848
Molecular Chairs, Zippers, Zigzag and Helical Chains: Chemical Enumeration of Supramolecular Isomerism Based on a Predesigned Metal-Organic Building Block
Jie-Peng Zhang; Yan-Yong Lin; Xiao-Chun Huang; Xiao-Ming Chen; Chemical Communications  (2005) –; doi:10.1039/b416095a

data_7100849
_publ_section_title
;
Molecular Chairs, Zippers, Zigzag and Helical Chains: Chemical
Enumeration of Supramolecular Isomerism Based on a Predesigned
Metal-Organic Building Block
;
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/b416095a
_journal_year                    2005
_chemical_formula_sum            'C12 H8 Cu N5'
_chemical_formula_weight         285.77
_space_group_IT_number           96
_symmetry_cell_setting           tetrahedral
_symmetry_space_group_name_Hall  'P 4nw 2abw'
_symmetry_space_group_name_H-M   'P 43 21 2'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   11.5320(10)
_cell_length_b                   11.5320(10)
_cell_length_c                   18.2900(10)
_cell_measurement_temperature    293(2)
_cell_volume                     2432.3(3)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.561
_cod_database_code               7100849