LMucko/crystallography-open-database huggingface dataset:
1,2-Ferrocenediylazaphosphinines: An Unusual Coordination Behavior and Application to Allylic Alkylation
Thanh Thien Co; Seung Whan Paek; Sang Chul Shim; Chan Sik Cho; Tae-Jeong Kim; Dong Woong Choi; Sang Ook Kang; Jong Hwa Jeong; Organometallics 22 (2003) 1475–; doi:10.1021/om020929n

data_4061921
_publ_section_title
;
1,2-Ferrocenediylazaphosphinines: An Unusual Coordination Behavior and
Application to Allylic Alkylation
;
_journal_name_full               Organometallics
_journal_page_first              1475
_journal_paper_doi               10.1021/om020929n
_journal_volume                  22
_journal_year                    2003
_chemical_formula_sum            'C29 H27 B F4 Fe N O P Pd'
_chemical_formula_weight         685.55
_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            4
_cell_length_a                   14.4365(12)
_cell_length_b                   11.2483(6)
_cell_length_c                   16.9363(11)
_cell_measurement_temperature    293(2)
_cell_volume                     2750.2(3)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.656
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' tag value 'orthorombic' was replaced with
'orthorhombic' value.

Automatic conversion script
Id: cif_fix_values 1646 2011-03-28 12:23:43Z adriana 
;
_cod_database_code               4061921
Complexes from Ring Opening of Lawesson's Reagent and Phosphorus-Phosphorus Coupling
Weng, Zhiqiang; Leong, Weng Kee; Vittal, Jagadese J.; Goh, Lai Yoong; Organometallics 22 (2003) 1645–1656; doi:10.1021/om020933z

data_4061922
_publ_section_title
;
 Complexes from Ring Opening of Lawesson's Reagent and
 Phosphorus-Phosphorus Coupling
;
_journal_coden_ASTM              ORGND7
_journal_issue                   8
_journal_name_full               Organometallics
_journal_page_first              1645
_journal_page_last               1656
_journal_paper_doi               10.1021/om020933z
_journal_volume                  22
_journal_year                    2003
_chemical_formula_sum            'C22 H17 Cr2 O6 P S'
_chemical_formula_weight         544.39
_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            4
_cell_length_a                   19.6999(17)
_cell_length_b                   9.6164(9)
_cell_length_c                   11.5827(10)
_cell_measurement_temperature    293(2)
_cell_volume                     2194.3(3)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.648
_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 

 Updated bibliographic information.

 Antanas Vaitkus,
 2019-09-23
;
_cod_database_code               4061922
Complexes from Ring Opening of Lawesson's Reagent and Phosphorus-Phosphorus Coupling
Weng, Zhiqiang; Leong, Weng Kee; Vittal, Jagadese J.; Goh, Lai Yoong; Organometallics 22 (2003) 1645–1656; doi:10.1021/om020933z

data_4061923
_publ_section_title
;
 Complexes from Ring Opening of Lawesson's Reagent and
 Phosphorus-Phosphorus Coupling
;
_journal_coden_ASTM              ORGND7
_journal_issue                   8
_journal_name_full               Organometallics
_journal_page_first              1645
_journal_page_last               1656
_journal_paper_doi               10.1021/om020933z
_journal_volume                  22
_journal_year                    2003
_chemical_formula_sum            'C22 H17 Cr2 O6 P S'
_chemical_formula_weight         544.39
_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            4
_cell_length_a                   19.6999(17)
_cell_length_b                   9.6164(9)
_cell_length_c                   11.5827(10)
_cell_measurement_temperature    293(2)
_cell_volume                     2194.3(3)
_diffrn_ambient_temperature      293(2)
_cod_duplicate_entry             4061922
_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 

 Updated bibliographic information.

 Antanas Vaitkus,
 2019-09-23
;
_cod_database_code               4061923
Phosphinidene- and Phosphido-bridged Complexes from a Arylthioxophosphane Cyclopentadienylchromium Complex
Weng, Zhiqiang; Leong, Weng Kee; Vittal, Jagadese J.; Goh, Lai Yoong; Organometallics  (2003) –; doi:

data_4061924
_publ_section_title
;
Phosphinidene- and Phosphido-bridged Complexes
from a Arylthioxophosphane
Cyclopentadienylchromium Complex
;
_journal_name_full               Organometallics
_journal_year                    2003
_chemical_formula_sum            'C26 H24 Cr2 O4 P2'
_chemical_formula_weight         566.39
_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                 98.305(4)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   13.618(2)
_cell_length_b                   9.4510(15)
_cell_length_c                   19.492(3)
_cell_measurement_temperature    223(2)
_cell_volume                     2482.4(7)
_diffrn_ambient_temperature      223(2)
_exptl_crystal_density_diffrn    1.515
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               4061924
Phosphinidene- and Phosphido-bridged Complexes from a Arylthioxophosphane Cyclopentadienylchromium Complex
Weng, Zhiqiang; Leong, Weng Kee; Vittal, Jagadese J.; Goh, Lai Yoong; Organometallics  (2003) –; doi:

data_4061925
_publ_section_title
;
Phosphinidene- and Phosphido-bridged Complexes
from a Arylthioxophosphane
Cyclopentadienylchromium Complex
;
_journal_name_full               Organometallics
_journal_year                    2003
_chemical_formula_sum            'C28.75 H29 Cr4 O P S3'
_chemical_formula_weight         725.67
_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                 110.106(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   43.214(6)
_cell_length_b                   9.7364(13)
_cell_length_c                   14.971(2)
_cell_measurement_temperature    223(2)
_cell_volume                     5915.3(14)
_diffrn_ambient_temperature      223(2)
_exptl_crystal_density_diffrn    1.630
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               4061925
Phosphinidene- and Phosphido-bridged Complexes from a Arylthioxophosphane Cyclopentadienylchromium Complex
Weng, Zhiqiang; Leong, Weng Kee; Vittal, Jagadese J.; Goh, Lai Yoong; Organometallics  (2003) –; doi:

data_4061926
_publ_section_title
;
Phosphinidene- and Phosphido-bridged Complexes
from a Arylthioxophosphane
Cyclopentadienylchromium Complex
;
_journal_name_full               Organometallics
_journal_year                    2003
_chemical_formula_sum            'C34 H34 Cr4 O2 P2 S2'
_chemical_formula_weight         808.67
_space_group_IT_number           63
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-C 2c 2'
_symmetry_space_group_name_H-M   'C m c m'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   10.7471(13)
_cell_length_b                   16.1172(18)
_cell_length_c                   18.290(2)
_cell_measurement_temperature    223(2)
_cell_volume                     3168.1(6)
_diffrn_ambient_temperature      223(2)
_exptl_crystal_density_diffrn    1.695
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Orthorhombic' changed to 'orthorhombic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_database_code               4061926
; Organometallics  (2003) –; doi:

data_4061927
_journal_name_full               Organometallics
_journal_year                    2003
_chemical_formula_sum            'C26 H32 I2 N2 Si2 Sn'
_chemical_formula_weight         801.21
_space_group_IT_number           5
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  'C 2y'
_symmetry_space_group_name_H-M   'C 1 2 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            6
_cell_length_a                   18.0570(10)
_cell_length_b                   10.4190(10)
_cell_length_c                   24.2650(10)
_cell_measurement_temperature    293(2)
_cell_volume                     4565.1(5)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.749
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' tag value 'MONCLINIC' was replaced with
'monoclinic' value.

Automatic conversion script
Id: cif_fix_values 1646 2011-03-28 12:23:43Z adriana 
;
_cod_original_sg_symbol_H-M      'C 2'
_cod_database_code               4061927
; Organometallics  (2003) –; doi:

data_4061928
_journal_name_full               Organometallics
_journal_year                    2003
_chemical_formula_sum            'C32 H38 Br2 N2 Si2 Sn'
_chemical_formula_weight         785.33
_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                108.56(3)
_cell_angle_beta                 102.06(3)
_cell_angle_gamma                113.51(3)
_cell_formula_units_Z            2
_cell_length_a                   13.025(3)
_cell_length_b                   13.109(3)
_cell_length_c                   14.194(3)
_cell_measurement_temperature    293(2)
_cell_volume                     1943.1(7)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.342
_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               4061928
; Organometallics  (2003) –; doi:

data_4061929
_journal_name_full               Organometallics
_journal_year                    2003
_chemical_formula_sum            'C27 H34 Cl2 F2 N2 Si2 Sn'
_chemical_formula_weight         670.33
_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                112.90(3)
_cell_angle_beta                 93.79(3)
_cell_angle_gamma                109.62(3)
_cell_formula_units_Z            2
_cell_length_a                   11.283(2)
_cell_length_b                   12.240(2)
_cell_length_c                   13.236(3)
_cell_measurement_temperature    293(2)
_cell_volume                     1544.8(5)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.441
_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               4061929
; Organometallics  (2003) –; doi:

data_4061930
_journal_name_full               Organometallics
_journal_year                    2003
_chemical_formula_sum            'C26 H34 Cl4 N2 Si2 Sn'
_chemical_formula_weight         691.22
_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                115.860(10)
_cell_angle_beta                 91.670(10)
_cell_angle_gamma                110.830(10)
_cell_formula_units_Z            2
_cell_length_a                   11.1390(10)
_cell_length_b                   12.6950(10)
_cell_length_c                   13.9690(10)
_cell_measurement_temperature    293(2)
_cell_volume                     1621.0(2)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.416
_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               4061930
Structure and Dynamics of Half-Sandwich Ruthenium(IV) Alkynyl Hydrido Complexes
Aneetha, Halikhedkar; Jiménez-Tenorio, Manuel; Puerta, M. Carmen; Valerga, Pedro; Mereiter, Kurt; Organometallics 22 (2003) 2001–2013; doi:10.1021/om020940n

data_4061931
_publ_section_title
;
Structure and Dynamics of Half-Sandwich Ruthenium(IV) Alkynyl Hydrido Complexes
;
_journal_issue                   10
_journal_name_full               Organometallics
_journal_page_first              2001
_journal_page_last               2013
_journal_paper_doi               10.1021/om020940n
_journal_volume                  22
_journal_year                    2003
_chemical_formula_moiety         'C28 H53 O2 P2 Ru 1+, C32 H12 B F24 1-'
_chemical_formula_sum            'C60 H65 B F24 O2 P2 Ru'
_chemical_formula_weight         1447.94
_chemical_name_common
'[(Cp*)Ru(H)(P(Me)(iPr)2)2(-CC-COOMe)][B(Ph(CF3)2)4]'
_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                 99.55(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   18.667(4)
_cell_length_b                   19.062(5)
_cell_length_c                   18.852(4)
_cell_measurement_temperature    297(2)
_cell_volume                     6615(3)
_diffrn_ambient_temperature      297(2)
_exptl_crystal_density_diffrn    1.454
_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               4061931
Structure and Dynamics of Half-Sandwich Ruthenium(IV) Alkynyl Hydrido Complexes
Aneetha, Halikhedkar; Jiménez-Tenorio, Manuel; Puerta, M. Carmen; Valerga, Pedro; Mereiter, Kurt; Organometallics 22 (2003) 2001–2013; doi:10.1021/om020940n

data_4061932
_publ_section_title
;
Structure and Dynamics of Half-Sandwich Ruthenium(IV) Alkynyl Hydrido Complexes
;
_journal_issue                   10
_journal_name_full               Organometallics
_journal_page_first              2001
_journal_page_last               2013
_journal_paper_doi               10.1021/om020940n
_journal_volume                  22
_journal_year                    2003
_chemical_formula_moiety
'C39 H61 O P2 Ru 1+, C32 H12 B F24 1-, C4 H10 O'
_chemical_formula_sum            'C75 H83 B F24 O2 P2 Ru'
_chemical_formula_weight         1646.23
_chemical_name_common
;
[(Cp*)Ru(H)(P(Me)(iPr)2)2(=C=C-C(OH)Ph2)][B(Ph(CF3)2)4].EtOEt
;
_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                71.25(1)
_cell_angle_beta                 79.88(1)
_cell_angle_gamma                89.36(1)
_cell_formula_units_Z            2
_cell_length_a                   12.986(3)
_cell_length_b                   14.483(3)
_cell_length_c                   22.235(5)
_cell_measurement_temperature    223(2)
_cell_volume                     3893.7(15)
_diffrn_ambient_temperature      223(2)
_exptl_crystal_density_diffrn    1.404
_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               4061932
Structure and Dynamics of Half-Sandwich Ruthenium(IV) Alkynyl Hydrido Complexes
Aneetha, Halikhedkar; Jiménez-Tenorio, Manuel; Puerta, M. Carmen; Valerga, Pedro; Mereiter, Kurt; Organometallics 22 (2003) 2001–2013; doi:10.1021/om020940n

data_4061933
_publ_section_title
;
Structure and Dynamics of Half-Sandwich Ruthenium(IV) Alkynyl Hydrido Complexes
;
_journal_issue                   10
_journal_name_full               Organometallics
_journal_page_first              2001
_journal_page_last               2013
_journal_paper_doi               10.1021/om020940n
_journal_volume                  22
_journal_year                    2003
_chemical_formula_moiety         'C29 H59 P2 Ru Si 1+, C32 H12 B F24 1-'
_chemical_formula_sum            'C61 H71 B F24 P2 Ru Si'
_chemical_formula_weight         1462.09
_chemical_name_common
'[(Cp*)Ru(P(Me)(iPr)2)2(=C=CH-SiMe3)][B(Ph(CF3)2)4]'
_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                103.210(10)
_cell_angle_beta                 107.610(10)
_cell_angle_gamma                93.000(10)
_cell_formula_units_Z            2
_cell_length_a                   14.695(3)
_cell_length_b                   14.764(3)
_cell_length_c                   17.085(3)
_cell_measurement_temperature    297(2)
_cell_volume                     3409.9(12)
_diffrn_ambient_temperature      297(2)
_exptl_crystal_density_diffrn    1.424
_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               4061933
; Organometallics  (2003) –; doi:

data_4061934
_journal_name_full               Organometallics
_journal_year                    2003
_chemical_formula_sum            'C38 H58 Cl N4 O3 Yb'
_chemical_formula_weight         827.37
_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                   10.141(3)
_cell_length_b                   16.929(9)
_cell_length_c                   22.632(10)
_cell_measurement_temperature    203(2)
_cell_volume                     3885.4(29)
_diffrn_ambient_temperature      203(2)
_exptl_crystal_density_diffrn    1.414
_refine_ls_R_factor_obs          0.0563
_refine_ls_wR_factor_obs         0.1018
_cod_database_code               4061934
; Organometallics  (2003) –; doi:

data_4061935
_journal_name_full               Organometallics
_journal_year                    2003
_chemical_formula_sum            'C38 H58 Cl Lu N4 O3'
_chemical_formula_weight         829.30
_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                   10.090(2)
_cell_length_b                   16.900(3)
_cell_length_c                   22.530(5)
_cell_measurement_temperature    203(2)
_cell_volume                     3841.8(13)
_diffrn_ambient_temperature      203(2)
_exptl_crystal_density_diffrn    1.434
_refine_ls_R_factor_obs          0.0349
_refine_ls_wR_factor_obs         0.0925
_cod_database_code               4061935
Chiral Bridged Aminotroponiminate Complexes of the heavy Lanthanides
Roesky, Peter W.; Bürgstein, Markus R.; Organometallics 22 (2003) 1372–1375; doi:10.1021/om0209428

data_4061936
_publ_section_title
;
Chiral Bridged Aminotroponiminate Complexes of the heavy Lanthanides
;
_journal_issue                   7
_journal_name_full               Organometallics
_journal_page_first              1372
_journal_page_last               1375
_journal_paper_doi               10.1021/om0209428
_journal_volume                  22
_journal_year                    2003
_chemical_formula_sum            'C38 H58 Cl N4 O3 Yb'
_chemical_formula_weight         827.37
_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                   10.141(3)
_cell_length_b                   16.929(9)
_cell_length_c                   22.632(10)
_cell_measurement_temperature    203(2)
_cell_volume                     3885.4(29)
_diffrn_ambient_temperature      203(2)
_exptl_crystal_density_diffrn    1.414
_refine_ls_R_factor_obs          0.0563
_refine_ls_wR_factor_obs         0.1018
_cod_database_code               4061936