LMucko/crystallography-open-database huggingface dataset:
; Journal of the American Chemical Society  (2006) –; doi:10.1021/ja056018x

data_4101183
_journal_name_full               'Journal of the American Chemical Society'
_journal_paper_doi               10.1021/ja056018x
_journal_year                    2006
_chemical_formula_sum            'C38 H41 O5 P'
_chemical_formula_weight         608.68
_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                   12.7851(11)
_cell_length_b                   12.9026(10)
_cell_length_c                   19.7686(17)
_cell_measurement_temperature    173(2)
_cell_volume                     3261.0(5)
_diffrn_ambient_temperature      173(2)
_exptl_crystal_density_diffrn    1.240
_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               4101183
; Journal of the American Chemical Society  (2006) –; doi:10.1021/ja056018x

data_4101184
_journal_name_full               'Journal of the American Chemical Society'
_journal_paper_doi               10.1021/ja056018x
_journal_year                    2006
_chemical_formula_sum            'C19 H20 Cl N O3'
_chemical_formula_weight         345.81
_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            8
_cell_length_a                   12.9631(15)
_cell_length_b                   14.1557(16)
_cell_length_c                   19.252(2)
_cell_measurement_temperature    100(2)
_cell_volume                     3532.8(7)
_diffrn_ambient_temperature      100(2)
_exptl_crystal_density_diffrn    1.300
_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               4101184
; Journal of the American Chemical Society  (2006) –; doi:10.1021/ja056631g

data_4101185
_journal_name_full               'Journal of the American Chemical Society'
_journal_paper_doi               10.1021/ja056631g
_journal_year                    2006
_chemical_formula_moiety         'C26 H29 N6 O5 S2 Zn, Cl O4, 3(H2 O)'
_chemical_formula_sum            'C26 H35 Cl N6 O12 S2 Zn'
_chemical_formula_weight         788.54
_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                 107.108(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   10.4359(10)
_cell_length_b                   26.531(3)
_cell_length_c                   12.5068(12)
_cell_measurement_temperature    123(2)
_cell_volume                     3309.7(6)
_diffrn_ambient_temperature      123(2)
_exptl_crystal_density_diffrn    1.583
_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               4101185
Arene Hydroxylation versus Styrene Epoxidation by (m-h2:h2)perpxodicopper(II) Complexes Supported by Dinucleating Ligands
Takahiro Matsumoto; Masashi Kobino; Masato Tomii; Hideki Hayashi; Furutachi, Hideki; Shigenori Nagatomo; Takehiko Tosha; Takao Osako; Fujinami, Shuhei; Shinobu Itoh; Teizo Kitagawa; Suzuki, Masatastu; Journal of the American Chemical Society  (2006) –; doi:

data_4101186
_publ_section_title
;
Arene Hydroxylation versus Styrene Epoxidation by
(m-h2:h2)perpxodicopper(II) Complexes Supported by Dinucleating Ligands
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_year                    2006
_chemical_formula_moiety         'C36 H42 N6 Cu2 O2, 2(Cl1O4), 2(C2H3N1)'
_chemical_formula_sum            'C40 H48 Cl2 Cu2 N8 O10'
_chemical_formula_weight         998.86
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                81.03(1)
_cell_angle_beta                 83.57(2)
_cell_angle_gamma                62.24(1)
_cell_formula_units_Z            2
_cell_length_a                   12.221(1)
_cell_length_b                   12.833(2)
_cell_length_c                   15.860(3)
_cell_measurement_temperature    123.2
_cell_volume                     2172.0(6)
_exptl_crystal_density_diffrn    1.527
_cod_original_formula_sum        'C40 H48 Cl2 Cu2 N8 O10 '
_cod_database_code               4101186
; Journal of the American Chemical Society  (2006) –; doi:

data_4101187
_journal_name_full               'Journal of the American Chemical Society'
_journal_year                    2006
_chemical_formula_moiety         'C36 H40 N6 O2 Cu2, 2(P1 F6), 0.5(C2 H6 O1)'
_chemical_formula_sum            'C37 H43 Cu2 F12 N6 O2.5 P2'
_chemical_formula_weight         1028.81
_space_group_IT_number           43
_space_group_name_Hall           'F 2 -2d'
_space_group_name_H-M_alt        'F d d 2'
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      43
_symmetry_space_group_name_Hall  'F 2 -2d'
_symmetry_space_group_name_H-M   'F d d 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            16
_cell_length_a                   35.040(6)
_cell_length_b                   39.364(5)
_cell_length_c                   11.877(2)
_cell_measurement_temperature    123.2
_cell_volume                     16382(4)
_exptl_crystal_density_diffrn    1.668
_cod_original_formula_sum        'C37 H43 Cu2 F12 N6 O2.50 P2 '
_cod_database_code               4101187
; Journal of the American Chemical Society  (2006) –; doi:10.1021/ja058777l

data_4101188
_journal_name_full               'Journal of the American Chemical Society'
_journal_paper_doi               10.1021/ja058777l
_journal_year                    2006
_chemical_formula_moiety         'Cu3 (C24 H12 N3 O6)2 (H2 O)3'
_chemical_formula_sum            'C48 H30 Cu3 N6 O15'
_chemical_formula_weight         1121.40
_chemical_name_common            PCN-6
_space_group_IT_number           166
_symmetry_cell_setting           rhombohedral
_symmetry_space_group_name_Hall  '-R 3 2"'
_symmetry_space_group_name_H-M   'R -3 m :H'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                120.00
_cell_formula_units_Z            24
_cell_length_a                   32.9680(13)
_cell_length_b                   32.9680(13)
_cell_length_c                   80.783(5)
_cell_measurement_temperature    293(2)
_cell_volume                     76039(6)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    0.588
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Rhombohedral' changed to 'rhombohedral'
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      'R -3m'
_cod_database_code               4101188
; Journal of the American Chemical Society  (2006) –; doi:10.1021/ja0602997

data_4101189
_journal_name_full               'Journal of the American Chemical Society'
_journal_paper_doi               10.1021/ja0602997
_journal_year                    2006
_chemical_formula_sum            'C27 H26 Cl N O4'
_chemical_formula_weight         463.94
_space_group_IT_number           61
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2ac 2ab'
_symmetry_space_group_name_H-M   'P b c a'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   13.135(3)
_cell_length_b                   17.211(3)
_cell_length_c                   20.129(4)
_cell_measurement_temperature    296(2)
_cell_volume                     4550.6(16)
_diffrn_ambient_temperature      296(2)
_exptl_crystal_density_diffrn    1.354
_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_original_sg_symbol_H-M      'P ? ? ?'
_cod_database_code               4101189
; Journal of the American Chemical Society  (2006) –; doi:

data_4101190
_journal_name_full               'Journal of the American Chemical Society'
_journal_year                    2006
_chemical_formula_sum            'C27 H27 N O4'
_chemical_formula_weight         429.50
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                104.27(3)
_cell_angle_beta                 97.57(3)
_cell_angle_gamma                97.47(3)
_cell_formula_units_Z            2
_cell_length_a                   9.6131(19)
_cell_length_b                   10.559(2)
_cell_length_c                   11.683(2)
_cell_measurement_temperature    296(2)
_cell_volume                     1122.9(4)
_diffrn_ambient_temperature      296(2)
_exptl_crystal_density_diffrn    1.270
_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               4101190
; Journal of the American Chemical Society  (2006) –; doi:10.1021/ja057347s

data_4101191
_journal_name_full               'Journal of the American Chemical Society'
_journal_paper_doi               10.1021/ja057347s
_journal_year                    2006
_chemical_formula_sum            'C18 H39 O15 Rh S2'
_chemical_formula_weight         662.52
_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                 98.4680(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   17.7336(7)
_cell_length_b                   9.2878(4)
_cell_length_c                   17.2333(7)
_cell_measurement_temperature    90(2)
_cell_volume                     2807.5(2)
_diffrn_ambient_temperature      90(2)
_exptl_crystal_density_diffrn    1.567
_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               4101191
; Journal of the American Chemical Society  (2006) –; doi:10.1021/ja057347s

data_4101192
_journal_name_full               'Journal of the American Chemical Society'
_journal_paper_doi               10.1021/ja057347s
_journal_year                    2006
_chemical_formula_sum            'C12 H28 Cl O22 Rh3'
_chemical_formula_weight         868.52
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00(13)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   11.427(16)
_cell_length_b                   14.797(15)
_cell_length_c                   14.995(13)
_cell_measurement_temperature    90(2)
_cell_volume                     2535(5)
_diffrn_ambient_temperature      90(2)
_exptl_crystal_density_diffrn    2.275
_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               4101192
; Journal of the American Chemical Society  (2006) –; doi:10.1021/ja060312n

data_4101193
_journal_name_full               'Journal of the American Chemical Society'
_journal_paper_doi               10.1021/ja060312n
_journal_year                    2006
_chemical_absolute_configuration ad
_chemical_formula_sum            'C17 H17 Cl2 N O3'
_chemical_formula_weight         354.22
_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                   6.3692(15)
_cell_length_b                   11.781(3)
_cell_length_c                   23.498(5)
_cell_measurement_temperature    193(2)
_cell_volume                     1763.1(7)
_diffrn_ambient_temperature      193(2)
_exptl_crystal_density_diffrn    1.334
_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               4101193
; Journal of the American Chemical Society  (2006) –; doi:10.1021/ja060312n

data_4101194
_journal_name_full               'Journal of the American Chemical Society'
_journal_paper_doi               10.1021/ja060312n
_journal_year                    2006
_chemical_absolute_configuration ad
_chemical_formula_sum            'C13 H9 Cl N2 O'
_chemical_formula_weight         244.67
_space_group_IT_number           4
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  'P 2yb'
_symmetry_space_group_name_H-M   'P 1 21 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 115.723(5)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   10.334(3)
_cell_length_b                   6.0435(17)
_cell_length_c                   10.356(3)
_cell_measurement_temperature    193(2)
_cell_volume                     582.7(3)
_diffrn_ambient_temperature      193(2)
_exptl_crystal_density_diffrn    1.395
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_sg_symbol_H-M      'P 21'
_cod_database_code               4101194
P-Hydrogen substituted 1,3,2-Diazaphospholenes: Molecular Hydrides
Burck, Sebastian; Gudat, Dietrich; Nieger, Martin; Du Mont, Wolf-Walter; Journal of the American Chemical Society  (2006) –; doi:10.1021/ja057827j

data_4101195
_publ_section_title
;
 P-Hydrogen substituted 1,3,2-Diazaphospholenes: Molecular Hydrides
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_paper_doi               10.1021/ja057827j
_journal_year                    2006
_chemical_formula_moiety         'C26 H37 N2 P'
_chemical_formula_sum            'C26 H37 N2 P'
_chemical_formula_weight         408.55
_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                 107.570(1)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   19.6744(3)
_cell_length_b                   6.3916(1)
_cell_length_c                   20.4343(4)
_cell_measurement_temperature    123(2)
_cell_volume                     2449.75(7)
_diffrn_ambient_temperature      123(2)
_exptl_crystal_density_diffrn    1.108
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               4101195
P-Hydrogen substituted 1,3,2-Diazaphospholenes: Molecular Hydrides
Burck, Sebastian; Gudat, Dietrich; Nieger, Martin; Du Mont, Wolf-Walter; Journal of the American Chemical Society  (2006) –; doi:10.1021/ja057827j

data_4101196
_publ_section_title
;
 P-Hydrogen substituted 1,3,2-Diazaphospholenes: Molecular Hydrides
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_paper_doi               10.1021/ja057827j
_journal_year                    2006
_chemical_formula_moiety         'C10 H20 N2 P - Ge Cl3'
_chemical_formula_sum            'C10 H20 Cl3 Ge N2 P'
_chemical_formula_weight         378.19
_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                   12.9640(4)
_cell_length_b                   17.3985(6)
_cell_length_c                   7.3944(2)
_cell_measurement_temperature    123(2)
_cell_volume                     1667.84(9)
_diffrn_ambient_temperature      123(2)
_exptl_crystal_density_diffrn    1.506
_cod_database_code               4101196
P-Hydrogen substituted 1,3,2-Diazaphospholenes: Molecular Hydrides
Burck, Sebastian; Gudat, Dietrich; Nieger, Martin; Du Mont, Wolf-Walter; Journal of the American Chemical Society  (2006) –; doi:10.1021/ja057827j

data_4101197
_publ_section_title
;
 P-Hydrogen substituted 1,3,2-Diazaphospholenes: Molecular Hydrides
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_paper_doi               10.1021/ja057827j
_journal_year                    2006
_chemical_formula_moiety         'C10 H20 N2 P - Sn Cl3'
_chemical_formula_sum            'C10 H20 Cl3 N2 P Sn'
_chemical_formula_weight         424.29
_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                   12.7132(3)
_cell_length_b                   17.4583(5)
_cell_length_c                   7.7723(2)
_cell_measurement_temperature    123(2)
_cell_volume                     1725.07(8)
_diffrn_ambient_temperature      123(2)
_exptl_crystal_density_diffrn    1.634
_cod_database_code               4101197
Assembly of an Allenylidene Ligand, a Terminal Alkyne, and an Acetonitrile Molecule: Formation of Osmacyclopentapyrrole Derivatives
Bolaño, T.; Castarlenas, R.; Esteruelas, M. A.; Oñate, E.; Journal of the American Chemical Society  (2006) –; doi:10.1021/ja058355b

data_4101198
_publ_section_title
;
Assembly of an Allenylidene Ligand, a Terminal Alkyne, and an Acetonitrile
Molecule: Formation of Osmacyclopentapyrrole Derivatives
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_paper_doi               10.1021/ja058355b
_journal_year                    2006
_chemical_formula_sum            'C38 H61 B Cl2 F4 N2 Os P2'
_chemical_formula_weight         955.74
_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                 111.056(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   11.5033(12)
_cell_length_b                   33.861(4)
_cell_length_c                   11.8212(13)
_cell_measurement_temperature    173(2)
_cell_volume                     4297.1(8)
_diffrn_ambient_temperature      173(2)
_exptl_crystal_density_diffrn    1.477
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               4101198
Assembly of an Allenylidene Ligand, a Terminal Alkyne, and an Acetonitrile Molecule: Formation of Osmacyclopentapyrrole Derivatives
Bolaño, T.; Castarlenas, R.; Esteruelas, M. A.; Oñate, E.; Journal of the American Chemical Society  (2006) –; doi:10.1021/ja058355b

data_4101199
_publ_section_title
;
Assembly of an Allenylidene Ligand, a Terminal Alkyne, and an Acetonitrile
Molecule: Formation of Osmacyclopentapyrrole Derivatives
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_paper_doi               10.1021/ja058355b
_journal_year                    2006
_chemical_formula_sum            'C45 H65 B F4 N2 Os P2'
_chemical_formula_weight         972.94
_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                84.140(2)
_cell_angle_beta                 83.248(3)
_cell_angle_gamma                81.579(2)
_cell_formula_units_Z            2
_cell_length_a                   10.8367(16)
_cell_length_b                   14.352(2)
_cell_length_c                   14.489(2)
_cell_measurement_temperature    100(2)
_cell_volume                     2205.4(6)
_diffrn_ambient_temperature      100(2)
_exptl_crystal_density_diffrn    1.465
_cod_database_code               4101199