LMucko/crystallography-open-database huggingface dataset:
Carbon-Oxygen Bond Cleavage Promoted by a Scandium Borohydride Complex
Basuli, Falguni; Tomaszewski, John; Huffman, John C.; Mindiola, Daniel J.; Organometallics 22 (2003) 4705–4714; doi:10.1021/om030374b

data_4062223
_publ_section_title
;
 Carbon-Oxygen Bond Cleavage Promoted by a Scandium Borohydride Complex
;
_journal_issue                   23
_journal_name_full               Organometallics
_journal_page_first              4705
_journal_page_last               4714
_journal_paper_doi               10.1021/om030374b
_journal_volume                  22
_journal_year                    2003
_chemical_formula_sum            'C43 H64 N3 O Sc'
_chemical_formula_weight         683.93
_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                84.590(3)
_cell_angle_beta                 83.677(3)
_cell_angle_gamma                70.261(3)
_cell_formula_units_Z            2
_cell_length_a                   10.0234(11)
_cell_length_b                   11.1852(12)
_cell_length_c                   19.658(2)
_cell_measurement_temperature    127(2)
_cell_volume                     2058.0(4)
_diffrn_ambient_temperature      127(2)
_exptl_crystal_density_diffrn    1.104
_cod_database_code               4062223
Carbon-Oxygen Bond Cleavage Promoted by a Scandium Borohydride Complex
Basuli, Falguni; Tomaszewski, John; Huffman, John C.; Mindiola, Daniel J.; Organometallics 22 (2003) 4705–4714; doi:10.1021/om030374b

data_4062224
_publ_section_title
;
 Carbon-Oxygen Bond Cleavage Promoted by a Scandium Borohydride Complex
;
_journal_issue                   23
_journal_name_full               Organometallics
_journal_page_first              4705
_journal_page_last               4714
_journal_paper_doi               10.1021/om030374b
_journal_volume                  22
_journal_year                    2003
_chemical_formula_sum            'C43 H62 N3 O Sc'
_chemical_formula_weight         681.92
_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                 101.259(8)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   40.771(5)
_cell_length_b                   9.7758(15)
_cell_length_c                   20.661(4)
_cell_measurement_temperature    130(2)
_cell_volume                     8077(2)
_diffrn_ambient_temperature      130(2)
_exptl_crystal_density_diffrn    1.122
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               4062224
Carbon-Oxygen Bond Cleavage Promoted by a Scandium Borohydride Complex
Basuli, Falguni; Tomaszewski, John; Huffman, John C.; Mindiola, Daniel J.; Organometallics 22 (2003) 4705–4714; doi:10.1021/om030374b

data_4062225
_publ_section_title
;
 Carbon-Oxygen Bond Cleavage Promoted by a Scandium Borohydride Complex
;
_journal_issue                   23
_journal_name_full               Organometallics
_journal_page_first              4705
_journal_page_last               4714
_journal_paper_doi               10.1021/om030374b
_journal_volume                  22
_journal_year                    2003
_chemical_formula_sum            'C56 H75 N3 O1.5 Sc'
_chemical_formula_weight         859.15
_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                97.9060(10)
_cell_angle_beta                 95.6130(10)
_cell_angle_gamma                105.8220(10)
_cell_formula_units_Z            2
_cell_length_a                   10.2169(3)
_cell_length_b                   11.5960(4)
_cell_length_c                   22.0076(7)
_cell_measurement_temperature    138(2)
_cell_volume                     2459.55(14)
_diffrn_ambient_temperature      138(2)
_exptl_crystal_density_diffrn    1.160
_cod_original_formula_sum        'C56 H75 N3 O1.50 Sc'
_cod_database_code               4062225
Carbon-Oxygen Bond Cleavage Promoted by a Scandium Borohydride Complex
Basuli, Falguni; Tomaszewski, John; Huffman, John C.; Mindiola, Daniel J.; Organometallics 22 (2003) 4705–4714; doi:10.1021/om030374b

data_4062226
_publ_section_title
;
 Carbon-Oxygen Bond Cleavage Promoted by a Scandium Borohydride Complex
;
_journal_issue                   23
_journal_name_full               Organometallics
_journal_page_first              4705
_journal_page_last               4714
_journal_paper_doi               10.1021/om030374b
_journal_volume                  22
_journal_year                    2003
_chemical_formula_sum            'C47 H73 N3 O0.5 Sc'
_chemical_formula_weight         733.04
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 91.364(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   20.2074(19)
_cell_length_b                   10.7832(10)
_cell_length_c                   20.592(2)
_cell_measurement_temperature    138(2)
_cell_volume                     4485.7(7)
_diffrn_ambient_temperature      138(2)
_exptl_crystal_density_diffrn    1.085
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_original_formula_sum        'C47 H73 N3 O0.50 Sc'
_cod_database_code               4062226
Terminal Aminophosphinidene Complexes of Iron, Ruthenium and Osmium
Brian T. Sterenberg; Konstantin A. Udachin; Arthur J. Carty; Organometallics 22 (2003) 3927–; doi:10.1021/om030386x

data_4062227
_publ_section_title
;
Terminal Aminophosphinidene Complexes of Iron, Ruthenium and Osmium
;
_journal_name_full               Organometallics
_journal_page_first              3927
_journal_paper_doi               10.1021/om030386x
_journal_volume                  22
_journal_year                    2003
_chemical_formula_sum            'C18 H29 Cl N O2 P Ru'
_chemical_formula_weight         458.91
_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                 104.613(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   8.0741(9)
_cell_length_b                   15.1392(17)
_cell_length_c                   9.0313(10)
_cell_measurement_temperature    173(2)
_cell_volume                     1068.2(2)
_diffrn_ambient_temperature      173(2)
_exptl_crystal_density_diffrn    1.427
_cod_original_sg_symbol_H-M      'P 21'
_cod_database_code               4062227
Terminal Aminophosphinidene Complexes of Iron, Ruthenium and Osmium
Brian T. Sterenberg; Konstantin A. Udachin; Arthur J. Carty; Organometallics 22 (2003) 3927–; doi:10.1021/om030386x

data_4062228
_publ_section_title
;
Terminal Aminophosphinidene Complexes of Iron, Ruthenium and Osmium
;
_journal_name_full               Organometallics
_journal_page_first              3927
_journal_paper_doi               10.1021/om030386x
_journal_volume                  22
_journal_year                    2003
_chemical_formula_sum            'C18 H29 Al Cl4 N O2 P Ru'
_chemical_formula_weight         592.24
_space_group_IT_number           31
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'P 2ac -2'
_symmetry_space_group_name_H-M   'P m n 21'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   10.6688(6)
_cell_length_b                   10.2497(6)
_cell_length_c                   12.1164(7)
_cell_measurement_temperature    173(2)
_cell_volume                     1324.95(13)
_diffrn_ambient_temperature      173(2)
_exptl_crystal_density_diffrn    1.484
_cod_database_code               4062228
Terminal Aminophosphinidene Complexes of Iron, Ruthenium and Osmium
Brian T. Sterenberg; Konstantin A. Udachin; Arthur J. Carty; Organometallics 22 (2003) 3927–; doi:10.1021/om030386x

data_4062229
_publ_section_title
;
Terminal Aminophosphinidene Complexes of Iron, Ruthenium and Osmium
;
_journal_name_full               Organometallics
_journal_page_first              3927
_journal_paper_doi               10.1021/om030386x
_journal_volume                  22
_journal_year                    2003
_chemical_formula_sum            'C18 H29 Al Cl4 N O2 Os P'
_chemical_formula_weight         681.37
_space_group_IT_number           31
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'P 2ac -2'
_symmetry_space_group_name_H-M   'P m n 21'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   10.6783(8)
_cell_length_b                   10.2353(8)
_cell_length_c                   12.1246(9)
_cell_measurement_temperature    293(2)
_cell_volume                     1325.17(17)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.708
_cod_database_code               4062229
Terminal Aminophosphinidene Complexes of Iron, Ruthenium and Osmium
Brian T. Sterenberg; Konstantin A. Udachin; Arthur J. Carty; Organometallics 22 (2003) 3927–; doi:10.1021/om030386x

data_4062230
_publ_section_title
;
Terminal Aminophosphinidene Complexes of Iron, Ruthenium and Osmium
;
_journal_name_full               Organometallics
_journal_page_first              3927
_journal_paper_doi               10.1021/om030386x
_journal_volume                  22
_journal_year                    2003
_chemical_formula_sum            'C18 H29 Al Cl4 Fe N O2 P'
_chemical_formula_weight         547.02
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 91.7870(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   22.4683(10)
_cell_length_b                   11.8999(5)
_cell_length_c                   19.4901(8)
_cell_measurement_temperature    173(2)
_cell_volume                     5208.5(4)
_diffrn_ambient_temperature      173(2)
_exptl_crystal_density_diffrn    1.395
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               4062230
; Organometallics  (2003) –; doi:

data_4062231
_journal_name_full               Organometallics
_journal_year                    2003
_chemical_formula_sum            'C70 H92 N6 Na2 P4'
_chemical_formula_weight         1187.36
_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                 111.651(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   27.3325(12)
_cell_length_b                   11.2628(5)
_cell_length_c                   24.0760(11)
_cell_measurement_temperature    160(2)
_cell_volume                     6888.7(5)
_diffrn_ambient_temperature      160(2)
_exptl_crystal_density_diffrn    1.145
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               4062231
; Organometallics  (2003) –; doi:

data_4062232
_journal_name_full               Organometallics
_journal_year                    2003
_chemical_formula_sum            'C21 H33 K N3 P'
_chemical_formula_weight         397.57
_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                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   18.3415(14)
_cell_length_b                   10.9172(8)
_cell_length_c                   22.4764(17)
_cell_measurement_temperature    160(2)
_cell_volume                     4500.6(6)
_diffrn_ambient_temperature      160(2)
_exptl_crystal_density_diffrn    1.174
_cod_database_code               4062232
; Organometallics  (2003) –; doi:

data_4062233
_journal_name_full               Organometallics
_journal_year                    2003
_chemical_formula_sum            'C139 H151 K4 N3 O6 P8'
_chemical_formula_weight         2363.79
_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                 92.049(11)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   26.756(4)
_cell_length_b                   17.5983(17)
_cell_length_c                   27.040(3)
_cell_measurement_temperature    120(2)
_cell_volume                     12724(3)
_diffrn_ambient_temperature      120(2)
_exptl_crystal_density_diffrn    1.234
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               4062233
; Organometallics  (2003) –; doi:

data_4062234
_journal_name_full               Organometallics
_journal_year                    2003
_chemical_formula_sum            'C91 H114 Li2 N6 P4'
_chemical_formula_weight         1429.64
_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                112.915(3)
_cell_angle_beta                 93.433(3)
_cell_angle_gamma                110.372(3)
_cell_formula_units_Z            1
_cell_length_a                   11.675(2)
_cell_length_b                   14.336(3)
_cell_length_c                   14.813(3)
_cell_measurement_temperature    160(2)
_cell_volume                     2085.3(6)
_diffrn_ambient_temperature      160(2)
_exptl_crystal_density_diffrn    1.138
_cod_database_code               4062234
Synthesis, structure, and spectroscopy of a family of iridabenzenes generated by the reaction of Vaska-type complexes with a nucleophilic 3-vinyl-1-cyclopropene.
Haley, Michael M.; Gilbertson, Robert D.; Lau, Thomas L.S; Lanza, Seren; Wu, He-Ping; Weakley, Timothy J.R.; Organometallics  (2003) –; doi:

data_4062235
_publ_section_title
;
Synthesis, structure, and spectroscopy of a family of iridabenzenes
generated by the reaction of Vaska-type complexes with a nucleophilic
3-vinyl-1-cyclopropene.
;
_journal_name_full               Organometallics
_journal_year                    2003
_chemical_formula_sum            'C30 H43 Ir O P2'
_chemical_formula_weight         673.84
_space_group_IT_number           19
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      19
_symmetry_space_group_name_Hall  'P 2ac 2ab'
_symmetry_space_group_name_H-M   'P 21 21 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   11.190(1)
_cell_length_b                   14.014(3)
_cell_length_c                   18.878(2)
_cell_measurement_temperature    295
_cell_volume                     2960.3(6)
_diffrn_ambient_temperature      295
_exptl_crystal_density_diffrn    1.512
_cod_database_code               4062235
Synthesis, structure, and spectroscopy of a family of iridabenzenes generated by the reaction of Vaska-type complexes with a nucleophilic 3-vinyl-1-cyclopropene.
Haley, Michael M.; Gilbertson, Robert D.; Lau, Thomas L.S; Lanza, Seren; Wu, He-Ping; Weakley, Timothy J.R.; Organometallics  (2003) –; doi:

data_4062236
_publ_section_title
;
Synthesis, structure, and spectroscopy of a family of iridabenzenes
generated by the reaction of Vaska-type complexes with a nucleophilic
3-vinyl-1-cyclopropene.
;
_journal_name_full               Organometallics
_journal_year                    2003
_chemical_formula_moiety         'C30 H43 Ir O P2 '
_chemical_formula_sum            'C30 H43 Ir O P2'
_chemical_formula_weight         673.84
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 95.615(9)
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   35.155(4)
_cell_length_b                   10.976(1)
_cell_length_c                   15.391(2)
_cell_measurement_temperature    296
_cell_volume                     5911(1)
_diffrn_ambient_temperature      296
_exptl_crystal_density_diffrn    1.514
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_original_formula_sum        'C30 H43 Ir O P2 '
_cod_database_code               4062236
Synthesis, structure, and spectroscopy of a family of iridabenzenes generated by the reaction of Vaska-type complexes with a nucleophilic 3-vinyl-1-cyclopropene.
Haley, Michael M.; Gilbertson, Robert D.; Lau, Thomas L.S; Lanza, Seren; Wu, He-Ping; Weakley, Timothy J.R.; Organometallics  (2003) –; doi:

data_4062237
_publ_section_title
;
Synthesis, structure, and spectroscopy of a family of iridabenzenes
generated by the reaction of Vaska-type complexes with a nucleophilic
3-vinyl-1-cyclopropene.
;
_journal_name_full               Organometallics
_journal_year                    2003
_chemical_formula_moiety         'C24 H31 Ir O3 P2 '
_chemical_formula_sum            'C24 H31 Ir O3 P2'
_chemical_formula_weight         621.67
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90
_cell_angle_beta                 90.98(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.248(4)
_cell_length_b                   12.4422(13)
_cell_length_c                   21.713(3)
_cell_measurement_temperature    296.2
_cell_volume                     2498.2(8)
_diffrn_ambient_temperature      296
_exptl_crystal_density_diffrn    1.653
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_original_formula_sum        'C24 H31 Ir O3 P2 '
_cod_database_code               4062237
Trimerization of Phenylacetonitrile. InMe~3~ as a Base for C-H Acidic Nitriles
Iravani, Effat; Neumüller, Bernhard; Organometallics 22 (2003) 4129–4135; doi:10.1021/om0303956

data_4062238
_publ_section_title
;
 Trimerization of Phenylacetonitrile. InMe~3~ as a Base for C-H Acidic Nitriles
;
_journal_issue                   20
_journal_name_full               Organometallics
_journal_page_first              4129
_journal_page_last               4135
_journal_paper_doi               10.1021/om0303956
_journal_volume                  22
_journal_year                    2003
_chemical_formula_sum            'C39 H50 In N5'
_chemical_formula_weight         703.66
_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                65.98(1)
_cell_angle_beta                 81.43(1)
_cell_angle_gamma                77.94(1)
_cell_formula_units_Z            2
_cell_length_a                   11.065(1)
_cell_length_b                   12.786(2)
_cell_length_c                   14.356(2)
_cell_measurement_temperature    193(2)
_cell_volume                     1809.6(4)
_diffrn_ambient_temperature      193(2)
_exptl_crystal_density_diffrn    1.291
_cod_database_code               4062238
Trimerization of Phenylacetonitrile. InMe~3~ as a Base for C-H Acidic Nitriles
Iravani, Effat; Neumüller, Bernhard; Organometallics 22 (2003) 4129–4135; doi:10.1021/om0303956

data_4062239
_publ_section_title
;
 Trimerization of Phenylacetonitrile. InMe~3~ as a Base for C-H Acidic Nitriles
;
_journal_issue                   20
_journal_name_full               Organometallics
_journal_page_first              4129
_journal_page_last               4135
_journal_paper_doi               10.1021/om0303956
_journal_volume                  22
_journal_year                    2003
_chemical_formula_moiety         '[Me~2~(THF)InNCCPh~2~]~2~'
_chemical_formula_sum            'C40 H48 In2 N2 O2'
_chemical_formula_weight         818.44
_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                75.30(1)
_cell_angle_beta                 73.56(1)
_cell_angle_gamma                83.82(1)
_cell_formula_units_Z            4
_cell_length_a                   10.288(1)
_cell_length_b                   12.973(2)
_cell_length_c                   15.105(2)
_cell_measurement_temperature    123(2)
_cell_volume                     1868.9(4)
_diffrn_ambient_temperature      123(2)
_exptl_crystal_density_diffrn    1.454
_cod_database_code               4062239
Trimerization of Phenylacetonitrile. InMe~3~ as a Base for C-H Acidic Nitriles
Iravani, Effat; Neumüller, Bernhard; Organometallics 22 (2003) 4129–4135; doi:10.1021/om0303956

data_4062240
_publ_section_title
;
 Trimerization of Phenylacetonitrile. InMe~3~ as a Base for C-H Acidic Nitriles
;
_journal_issue                   20
_journal_name_full               Organometallics
_journal_page_first              4129
_journal_page_last               4135
_journal_paper_doi               10.1021/om0303956
_journal_volume                  22
_journal_year                    2003
_chemical_formula_moiety         '[{Li(OEt~2~)~2~}{NCCPh~2~}]~2~'
_chemical_formula_sum            'C44 H60 Li2 N2 O4'
_chemical_formula_weight         694.82
_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                100.32(1)
_cell_angle_beta                 107.05(1)
_cell_angle_gamma                101.77(1)
_cell_formula_units_Z            4
_cell_length_a                   13.790(2)
_cell_length_b                   15.279(3)
_cell_length_c                   22.582(4)
_cell_measurement_temperature    193(2)
_cell_volume                     4306(1)
_diffrn_ambient_temperature      193(2)
_exptl_crystal_density_diffrn    1.072
_cod_database_code               4062240
Trimerization of Phenylacetonitrile. InMe~3~ as a Base for C-H Acidic Nitriles
Iravani, Effat; Neumüller, Bernhard; Organometallics 22 (2003) 4129–4135; doi:10.1021/om0303956

data_4062241
_publ_section_title
;
 Trimerization of Phenylacetonitrile. InMe~3~ as a Base for C-H Acidic Nitriles
;
_journal_issue                   20
_journal_name_full               Organometallics
_journal_page_first              4129
_journal_page_last               4135
_journal_paper_doi               10.1021/om0303956
_journal_volume                  22
_journal_year                    2003
_chemical_formula_sum            'C14 H11 N'
_chemical_formula_weight         193.24
_chemical_name_common            Ph~2~C(H)CN
_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                 107.28(1)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   10.720(2)
_cell_length_b                   6.297(1)
_cell_length_c                   16.385(2)
_cell_measurement_temperature    193(2)
_cell_volume                     1056.1(3)
_diffrn_ambient_temperature      193(2)
_exptl_crystal_density_diffrn    1.215
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               4062241