LMucko/crystallography-open-database huggingface dataset:
Homoleptic uranium(III) imidodiphoshinochalcogenides including the first structurally characterised molecular trivalent actinide-Se bond
A.J. Gaunt; B.L. Scott; M.P. Neu; Chemical Communications  (2005) –; doi:10.1039/b503106k

data_7100036
_publ_section_title
;
Homoleptic uranium(III) imidodiphoshinochalcogenides
including the first structurally characterised molecular
trivalent actinide-Se bond
;
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/b503106k
_journal_year                    2005
_chemical_formula_sum            'C78 H60 D6 N3 P6 Se6 U'
_chemical_formula_weight         1948.99
_chemical_name_common
;
tris(iminobis(diphenylphosphinoselenido)-N, Se, Se')-
uranium(iii) benzene solvate
;
_space_group_IT_number           167
_symmetry_cell_setting           trigonal
_symmetry_space_group_name_Hall  '-R 3 2"c'
_symmetry_space_group_name_H-M   'R -3 c :H'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                120.00
_cell_formula_units_Z            6
_cell_length_a                   15.1699(10)
_cell_length_b                   15.1699(10)
_cell_length_c                   56.846(7)
_cell_measurement_temperature    203(2)
_cell_volume                     11329.1(18)
_diffrn_ambient_temperature      203(2)
_exptl_crystal_density_diffrn    1.709
_cod_original_sg_symbol_H-M      'R -3 c'
_cod_database_code               7100036
; Chemical Communications  (2005) –; doi:10.1039/b503106k

data_7100037
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/b503106k
_journal_year                    2005
_chemical_formula_sum            'C79 H68 N3 P6 S6 U'
_chemical_formula_weight         1675.63
_chemical_name_common
;
tris(iminobis(diphenylphosphinosulfido)-N, S, S')-
uranium(iii) toluene solvate
;
_space_group_IT_number           167
_symmetry_cell_setting           trigonal
_symmetry_space_group_name_Hall  '-R 3 2"c'
_symmetry_space_group_name_H-M   'R -3 c :H'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                120.00
_cell_formula_units_Z            6
_cell_length_a                   15.0066(9)
_cell_length_b                   15.0066(9)
_cell_length_c                   56.107(4)
_cell_measurement_temperature    141(2)
_cell_volume                     10942.4(12)
_diffrn_ambient_temperature      141(2)
_exptl_crystal_density_diffrn    1.526
_cod_original_sg_symbol_H-M      'R -3 c'
_cod_database_code               7100037
Bimetallic Catalytic Synthesis of Annelated Benzazepines
R.E. Grigg; Laura Cleghorn; Colin Kilner; William S. MacLachlan; V. Sridharan; Chemical Communications  (2005) –; doi:10.1039/b503213j

data_7100038
_publ_section_title
;
Bimetallic Catalytic Synthesis of Annelated
Benzazepines
;
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/b503213j
_journal_year                    2005
_chemical_formula_moiety         'C19 H19 N O'
_chemical_formula_sum            'C19 H19 N O'
_chemical_formula_weight         277.35
_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                 92.8250(12)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   10.0020(3)
_cell_length_b                   13.1350(4)
_cell_length_c                   10.9480(4)
_cell_measurement_temperature    150(2)
_cell_volume                     1436.56(8)
_diffrn_ambient_temperature      150(2)
_exptl_crystal_density_diffrn    1.282
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               7100038
Bimetallic Catalytic Synthesis of Annelated Benzazepines
R.E.Grigg; Laura Cleghorn; Colin Kilner; William S. MacLachlan; V. Sridharan; Chemical Communications  (2005) –; doi:10.1039/b503213j

data_7100039
_publ_section_title
;
Bimetallic Catalytic Synthesis of Annelated
Benzazepines
;
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/b503213j
_journal_year                    2005
_chemical_formula_moiety         'C26 H25 N'
_chemical_formula_sum            'C26 H25 N'
_chemical_formula_weight         351.47
_space_group_IT_number           33
_space_group_name_Hall           'P 2c -2n'
_space_group_name_H-M_alt        'P n a 21'
_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                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   10.3740(2)
_cell_length_b                   19.2830(7)
_cell_length_c                   9.7330(3)
_cell_measurement_temperature    150(2)
_cell_volume                     1947.01(10)
_diffrn_ambient_temperature      150(2)
_exptl_crystal_density_diffrn    1.199
_cod_database_code               7100039
Unprecedented use of silver(I) N-heterocyclic carbene complexes for the catalytic preparation of 1,2-bis(boronate)esters
Elena Fernandez; Rosa Corberan; Eduardo Peris; Jesus Ramirez; Mercedes Sanau; Chemical Communications  (2005) –; doi:10.1039/b503239c

data_7100040
_publ_section_title
;
Unprecedented use of silver(I) N-heterocyclic
carbene complexes for the catalytic preparation of 1,2-bis(boronate)esters
;
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/b503239c
_journal_year                    2005
_chemical_formula_sum            'C60 H104 Ag4 Cl4 N8 O4'
_chemical_formula_weight         1574.79
_space_group_IT_number           1
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  'P 1'
_symmetry_space_group_name_H-M   'P 1'
_cell_angle_alpha                105.54(3)
_cell_angle_beta                 97.78(3)
_cell_angle_gamma                94.74(3)
_cell_formula_units_Z            1
_cell_length_a                   9.3318(19)
_cell_length_b                   11.080(2)
_cell_length_c                   18.816(4)
_cell_measurement_temperature    273(2)
_cell_volume                     1842.6(6)
_diffrn_ambient_temperature      273(2)
_exptl_crystal_density_diffrn    1.419
_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               7100040
A novel class of phosphorescent gold(III) alkynyl-based organic light emitting devices with tunable colour
Vivian Yam; Ling-Ling Hung; Hoi-Sing Kwok; Keith Man-Chung Wong; Nianyong Zhu; Xiuling Zhu; Chemical Communications  (2005) –; doi:10.1039/b503315b

data_7100041
_publ_section_title
;
A novel class of phosphorescent gold(III)
alkynyl-based organic light emitting devices with tunable colour
;
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/b503315b
_journal_year                    2005
_chemical_formula_moiety         'C38 H27 Au Cl2 N2'
_chemical_formula_sum            'C38 H27 Au Cl2 N2'
_chemical_formula_weight         779.48
_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                82.04(3)
_cell_angle_beta                 84.82(3)
_cell_angle_gamma                66.02(3)
_cell_formula_units_Z            2
_cell_length_a                   10.052(2)
_cell_length_b                   10.463(2)
_cell_length_c                   16.117(3)
_cell_measurement_temperature    301(2)
_cell_volume                     1532.8(5)
_diffrn_ambient_temperature      301(2)
_exptl_crystal_density_diffrn    1.689
_cod_database_code               7100041
Spectroscopic and crystallographic evidence for the N-protonated Fe^I^Fe^I^ azadithiolate complex related to the active site of Fe-only hydrogenases
Wang, Fujun; Wang, Mei; Liu, Xiaoyang; Jin, Kun; Dong, Weibing; Li, Guanghua; Åkermark, Björn; Sun, Licheng; Chemical Communications (Cambridge, United Kingdom)  (2005) 3221–3223; doi:10.1039/b503371c

data_7100042
_publ_section_title
;
 Spectroscopic and crystallographic evidence for the N-protonated Fe^I^Fe^I^
 azadithiolate complex related to the active site of Fe-only hydrogenases
;
_journal_coden_ASTM              CHCOFS
_journal_issue                   25
_journal_name_full
;
 Chemical Communications (Cambridge, United Kingdom)
;
_journal_page_first              3221
_journal_page_last               3223
_journal_paper_doi               10.1039/b503371c
_journal_year                    2005
_chemical_formula_moiety         'C15 H10 Br Fe2 N O6 S2'
_chemical_formula_sum            'C15 H10 Br Fe2 N O6 S2'
_chemical_formula_weight         555.97
_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                   13.3549(9)
_cell_length_b                   14.8313(10)
_cell_length_c                   19.7845(11)
_cell_measurement_temperature    293(2)
_cell_volume                     3918.7(4)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.885
_refine_diff_density_rms         0.093
_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               7100042
Spectroscopic and crystallographic evidence for the N-protonated Fe^I^Fe^I^ azadithiolate complex related to the active site of Fe-only hydrogenases
Wang, Fujun; Wang, Mei; Liu, Xiaoyang; Jin, Kun; Dong, Weibing; Li, Guanghua; Åkermark, Björn; Sun, Licheng; Chemical Communications (Cambridge, United Kingdom)  (2005) 3221–3223; doi:10.1039/b503371c

data_7100043
_publ_section_title
;
 Spectroscopic and crystallographic evidence for the N-protonated Fe^I^Fe^I^
 azadithiolate complex related to the active site of Fe-only hydrogenases
;
_journal_coden_ASTM              CHCOFS
_journal_issue                   25
_journal_name_full
;
 Chemical Communications (Cambridge, United Kingdom)
;
_journal_page_first              3221
_journal_page_last               3223
_journal_paper_doi               10.1039/b503371c
_journal_year                    2005
_chemical_formula_moiety         'C15 H11 Br Cl Fe2 N O10 S2'
_chemical_formula_sum            'C15 H11 Br Cl Fe2 N O10 S2'
_chemical_formula_weight         656.43
_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                 104.63(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   22.953(10)
_cell_length_b                   6.611(3)
_cell_length_c                   15.033(6)
_cell_measurement_temperature    293(2)
_cell_volume                     2207.2(16)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.975
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               7100043
Mechanochemical and Solution Reactions Between AgCH3COO and [H2NC6H10NH2] Yield Three Isomers of the Coordination Network {Ag[H2NC6H10NH2]+}
Dario Braga; Marco Curzi; F. Grepioni; Marco Polito; Chemical Communications  (2005) –; doi:10.1039/b503404c

data_7100044
_publ_section_title
;
Mechanochemical and Solution Reactions Between
AgCH3COO and [H2NC6H10NH2] Yield Three Isomers of the Coordination
Network {Ag[H2NC6H10NH2]+}
;
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/b503404c
_journal_year                    2005
_chemical_formula_sum            'C9 H21 Ag N2 O3.5'
_chemical_formula_weight         321.15
_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                 125.341(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   21.5739(10)
_cell_length_b                   9.8443(10)
_cell_length_c                   15.7727(10)
_cell_measurement_temperature    293(2)
_cell_volume                     2732.5(4)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.561
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_original_formula_sum        'C9 H21 Ag N2 O3.50'
_cod_database_code               7100044
Mechanochemical and Solution Reactions Between AgCH3COO and [H2NC6H10NH2] Yield Three Isomers of the Coordination Network {Ag[H2NC6H10NH2]+}
Dario Braga; Marco Curzi; F. Grepioni; Marco Polito; Chemical Communications  (2005) –; doi:10.1039/b503404c

data_7100045
_publ_section_title
;
Mechanochemical and Solution Reactions Between
AgCH3COO and [H2NC6H10NH2] Yield Three Isomers of the Coordination
Network {Ag[H2NC6H10NH2]+}
;
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/b503404c
_journal_year                    2005
_chemical_formula_sum            'C8 H25 Ag N2 O6'
_chemical_formula_weight         353.17
_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                95.35(3)
_cell_angle_beta                 90.898(17)
_cell_angle_gamma                108.90(2)
_cell_formula_units_Z            4
_cell_length_a                   8.7808(13)
_cell_length_b                   12.810(4)
_cell_length_c                   13.706(3)
_cell_measurement_temperature    293(2)
_cell_volume                     1450.5(6)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.617
_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               7100045
Mechanochemical and Solution Reactions Between AgCH3COO and [H2NC6H10NH2] Yield Three Isomers of the Coordination Network {Ag[H2NC6H10NH2]+}
Dario Braga; Marco Curzi; F. Grepioni; Marco Polito; Chemical Communications  (2005) –; doi:10.1039/b503404c

data_7100046
_publ_section_title
;
Mechanochemical and Solution Reactions Between
AgCH3COO and [H2NC6H10NH2] Yield Three Isomers of the Coordination
Network {Ag[H2NC6H10NH2]+}
;
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/b503404c
_journal_year                    2005
_chemical_formula_sum            'C8 H23 Ag N2 O5'
_chemical_formula_weight         335.15
_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                105.91(3)
_cell_angle_beta                 97.78(3)
_cell_angle_gamma                99.37(4)
_cell_formula_units_Z            2
_cell_length_a                   6.108(4)
_cell_length_b                   10.180(4)
_cell_length_c                   11.849(4)
_cell_measurement_temperature    293(2)
_cell_volume                     686.4(6)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.622
_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               7100046
Physiologically Stable Vanadium(IV) Porphyrins as a New Class of Anti-HIV Agents
Chi Ming Che.; Nancy P. Y. Chung; Chen-Lung Li.; Raymond Sun.; Suk-Yu Wong.; Chemical Communications  (2005) –; doi:10.1039/b503535j

data_7100047
_publ_section_title
;
Physiologically Stable Vanadium(IV) Porphyrins as a
New Class of Anti-HIV Agents
;
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/b503535j
_journal_year                    2005
_chemical_formula_moiety         'C56 H58 N4 O16 V'
_chemical_formula_sum            'C56 H58 N4 O16 V'
_chemical_formula_weight         1094.00
_space_group_IT_number           12
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 115.11(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   16.297(3)
_cell_length_b                   27.009(5)
_cell_length_c                   8.878(2)
_cell_measurement_temperature    253(2)
_cell_volume                     3538.5(12)
_diffrn_ambient_temperature      253(2)
_exptl_crystal_density_diffrn    1.027
_cod_original_sg_symbol_H-M      'C 2/m'
_cod_database_code               7100047
Mono- and digallane complexes of a tridentate amido-diamine ligand
Wayne Gladfelter; Benjamin E. Kuccera; Bing Luo; Chemical Communications  (2005) –; doi:10.1039/b503705k

data_7100048
_publ_section_title
;
Mono- and digallane complexes of a tridentate
amido-diamine ligand
;
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/b503705k
_journal_year                    2005
_chemical_absolute_configuration ad
_chemical_formula_moiety         'C8 H25 Ga2 N3'
_chemical_formula_sum            'C8 H25 Ga2 N3'
_chemical_formula_weight         302.75
_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                   6.1939(14)
_cell_length_b                   12.977(3)
_cell_length_c                   17.601(4)
_cell_measurement_temperature    173(2)
_cell_volume                     1414.8(6)
_diffrn_ambient_temperature      173(2)
_exptl_crystal_density_diffrn    1.421
_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               7100048
Mono- and digallane complexes of a tridentate amido-diamine ligand
Wayne Gladfelter; Benjamin E. Kuccera; Bing Luo; Chemical Communications  (2005) –; doi:10.1039/b503705k

data_7100049
_publ_section_title
;
Mono- and digallane complexes of a tridentate
amido-diamine ligand
;
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/b503705k
_journal_year                    2005
_chemical_formula_moiety         'C8 H22 Ga N3'
_chemical_formula_sum            'C8 H22 Ga N3'
_chemical_formula_weight         230.01
_chemical_name_common            04303
_space_group_IT_number           60
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2n 2ab'
_symmetry_space_group_name_H-M   'P b c n'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   11.010(2)
_cell_length_b                   11.706(2)
_cell_length_c                   9.4523(19)
_cell_measurement_temperature    173(2)
_cell_volume                     1218.2(4)
_diffrn_ambient_temperature      173(2)
_exptl_crystal_density_diffrn    1.254
_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               7100049
Encapsulated Transition Metal Catalysts Comprising Peripheral Zn(II)salen Building Blocks: Template-Controlled Reactivity and Selectivity in Hydroformylation Catalysis
J. Reek; Arjan W. Kleij; Martin Lutz; Anthony L. Spek; van Leeuwen,Piet W.N.M; Chemical Communications  (2005) –; doi:10.1039/b503708e

data_7100050
_publ_section_title
;
Encapsulated Transition Metal Catalysts Comprising
Peripheral Zn(II)salen Building Blocks: Template-Controlled Reactivity
and Selectivity in Hydroformylation Catalysis
;
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/b503708e
_journal_year                    2005
_chemical_formula_moiety         'C99 H96 Cl6 N9 O6 P Zn3, 5(C2 H3 N)'
_chemical_formula_sum            'C109 H111 Cl6 N14 O6 P Zn3'
_chemical_formula_weight         2152.90
_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                78.2385(6)
_cell_angle_beta                 87.6536(6)
_cell_angle_gamma                71.2122(9)
_cell_formula_units_Z            2
_cell_length_a                   14.4818(3)
_cell_length_b                   17.0579(3)
_cell_length_c                   23.2334(4)
_cell_measurement_temperature    150(2)
_cell_volume                     5317.55(17)
_diffrn_ambient_temperature      150(2)
_exptl_crystal_density_diffrn    1.345
_cod_database_code               7100050