LMucko/crystallography-open-database huggingface dataset:
Germylene Reactions with Quinones Shed Light on Germylene Phenone Equilibria
Sweeder, Ryan D.; Gdula, Robyn L.; Ludwig, Bonnie J.; Banaszak Holl, Mark M.; Kampf, Jeff W.; Organometallics 22 (2003) 3222–3229; doi:10.1021/om0302589

data_4062125
_publ_section_title
;
 Germylene Reactions with Quinones Shed Light on Germylene Phenone Equilibria
;
_journal_coden_ASTM              ORGND7
_journal_issue                   16
_journal_name_full               Organometallics
_journal_page_first              3222
_journal_page_last               3229
_journal_paper_doi               10.1021/om0302589
_journal_volume                  22
_journal_year                    2003
_chemical_formula_sum            'C38 H86 Ge2 O2 Si8'
_chemical_formula_weight         944.97
_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                105.6510(10)
_cell_angle_beta                 95.8730(10)
_cell_angle_gamma                111.8570(10)
_cell_formula_units_Z            2
_cell_length_a                   11.7386(11)
_cell_length_b                   14.3887(13)
_cell_length_c                   17.8360(16)
_cell_measurement_temperature    150(2)
_cell_volume                     2622.1(4)
_diffrn_ambient_temperature      150(2)
_exptl_crystal_density_diffrn    1.197
_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 

 Updated bibliographical information.

 Antanas Vaitkus,
 2019-09-11
;
_cod_database_code               4062125
Germylene Reactions with Quinones Shed Light on Germylene Phenone Equilibria
Sweeder, Ryan D.; Gdula, Robyn L.; Ludwig, Bonnie J.; Banaszak Holl, Mark M.; Kampf, Jeff W.; Organometallics 22 (2003) 3222–3229; doi:10.1021/om0302589

data_4062126
_publ_section_title
;
 Germylene Reactions with Quinones Shed Light on Germylene Phenone Equilibria
;
_journal_coden_ASTM              ORGND7
_journal_issue                   16
_journal_name_full               Organometallics
_journal_page_first              3222
_journal_page_last               3229
_journal_paper_doi               10.1021/om0302589
_journal_volume                  22
_journal_year                    2003
_chemical_formula_sum            'C44 H88 Ge2 O2 Si8'
_chemical_formula_weight         1019.04
_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                 94.900(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   29.688(5)
_cell_length_b                   8.9521(15)
_cell_length_c                   21.891(4)
_cell_measurement_temperature    150(2)
_cell_volume                     5796.7(17)
_diffrn_ambient_temperature      150(2)
_exptl_crystal_density_diffrn    1.168
_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 

 Updated bibliographical information.

 Antanas Vaitkus,
 2019-09-11
;
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               4062126
Germylene Reactions with Quinones Shed Light on Germylene Phenone Equilibria
Sweeder, Ryan D.; Gdula, Robyn L.; Ludwig, Bonnie J.; Banaszak Holl, Mark M.; Kampf, Jeff W.; Organometallics 22 (2003) 3222–3229; doi:10.1021/om0302589

data_4062127
_publ_section_title
;
 Germylene Reactions with Quinones Shed Light on Germylene Phenone Equilibria
;
_journal_coden_ASTM              ORGND7
_journal_issue                   16
_journal_name_full               Organometallics
_journal_page_first              3222
_journal_page_last               3229
_journal_paper_doi               10.1021/om0302589
_journal_volume                  22
_journal_year                    2003
_chemical_formula_sum            'C22 H46 Ge N2 O2 Si4'
_chemical_formula_weight         555.56
_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                73.9610(10)
_cell_angle_beta                 85.505(2)
_cell_angle_gamma                76.761(2)
_cell_formula_units_Z            2
_cell_length_a                   10.1060(9)
_cell_length_b                   11.2113(10)
_cell_length_c                   13.9057(12)
_cell_measurement_temperature    150(2)
_cell_volume                     1473.8(2)
_diffrn_ambient_temperature      150(2)
_exptl_crystal_density_diffrn    1.252
_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 

 Updated bibliographical information.

 Antanas Vaitkus,
 2019-09-11
;
_cod_database_code               4062127
; Organometallics  (2003) –; doi:

data_4062128
_journal_name_full               Organometallics
_journal_year                    2003
_chemical_formula_sum            'C58 H47 Mn N2 O4 P2'
_chemical_formula_weight         952.86
_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            8
_cell_length_a                   28.819(8)
_cell_length_b                   16.342(4)
_cell_length_c                   20.397(5)
_cell_measurement_temperature    150(2)
_cell_volume                     9606(4)
_diffrn_ambient_temperature      150(2)
_exptl_crystal_density_diffrn    1.318
_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               4062128
; Organometallics  (2003) –; doi:

data_4062129
_journal_name_full               Organometallics
_journal_year                    2003
_chemical_formula_sum            'C24.5 H24 Mn N O4'
_chemical_formula_weight         451.39
_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                104.92(3)
_cell_angle_beta                 91.58(3)
_cell_angle_gamma                92.43(3)
_cell_formula_units_Z            2
_cell_length_a                   6.7990(14)
_cell_length_b                   11.329(2)
_cell_length_c                   15.409(3)
_cell_measurement_temperature    210(2)
_cell_volume                     1144.9(4)
_diffrn_ambient_temperature      210(2)
_exptl_crystal_density_diffrn    1.309
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_formula_sum        'C24.50 H24 Mn N O4'
_cod_database_code               4062129
New η^2^-formamidinyl Zr Complexes: Synthesis, Characterization and Catalytic activity
Benetollo, Franco; Carta, Giovanni; Cavinato, Gianni; Crociani, Laura; Paolucci, Gino; Rossetto, Gilberto; Veronese, Francesco; Zanella, Pierino; Organometallics 22 (2003) 3985–3990; doi:10.1021/om030268+

data_4062130
_publ_section_title
;
 New \h^2^-formamidinyl Zr Complexes: Synthesis,
 Characterization and Catalytic activity
;
_journal_issue                   20
_journal_name_full               Organometallics
_journal_page_first              3985
_journal_page_last               3990
_journal_paper_doi               10.1021/om030268+
_journal_volume                  22
_journal_year                    2003
_chemical_formula_moiety         '[Zr(NMeCyc)~2~(C(NAr)NMeCyc)~2~]'
_chemical_formula_sum            'C46 H74 N6 Zr'
_chemical_formula_weight         802.33
_space_group_IT_number           18
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'P 2 2ab'
_symmetry_space_group_name_H-M   'P 21 21 2'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   12.399(3)
_cell_length_b                   19.467(3)
_cell_length_c                   9.607(2)
_cell_measurement_temperature    293(2)
_cell_volume                     2318.9(8)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.149
_cod_database_code               4062130
; Organometallics  (2003) –; doi:

data_4062131
_journal_name_full               Organometallics
_journal_year                    2003
_chemical_formula_moiety         'C16 H42 Cr N4 Si3'
_chemical_formula_sum            'C16 H42 Cr N4 Si3'
_chemical_formula_weight         426.81
_chemical_melting_point          397(1)
_space_group_IT_number           9
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  'C -2yc'
_symmetry_space_group_name_H-M   'C 1 c 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 109.54(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   17.337(5)
_cell_length_b                   9.7178(19)
_cell_length_c                   15.636(5)
_cell_measurement_temperature    180(2)
_cell_volume                     2482.5(11)
_diffrn_ambient_temperature      180(2)
_exptl_crystal_density_diffrn    1.142
_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 c'
_cod_database_code               4062131
; Organometallics  (2003) –; doi:

data_4062132
_journal_name_full               Organometallics
_journal_year                    2003
_chemical_formula_moiety         'C19 H48 Cr N4 Si3'
_chemical_formula_sum            'C19 H48 Cr N4 Si3'
_chemical_formula_weight         468.88
_chemical_melting_point          406(1)
_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                 92.93(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   10.294(2)
_cell_length_b                   12.522(9)
_cell_length_c                   10.703(5)
_cell_measurement_temperature    180(2)
_cell_volume                     1377.9(12)
_diffrn_ambient_temperature      180(2)
_exptl_crystal_density_diffrn    1.130
_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               4062132
; Organometallics  (2003) –; doi:

data_4062133
_journal_name_full               Organometallics
_journal_year                    2003
_chemical_formula_sum            'C45 H40 Cl6 F3 Ir O6 P2 S'
_chemical_formula_weight         1232.67
_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                90.000(5)
_cell_angle_beta                 90.092(5)
_cell_angle_gamma                90.000(5)
_cell_formula_units_Z            4
_cell_length_a                   16.068(5)
_cell_length_b                   12.811(5)
_cell_length_c                   24.067(5)
_cell_measurement_temperature    173(2)
_cell_volume                     4954(3)
_diffrn_ambient_temperature      173(2)
_exptl_crystal_density_diffrn    1.653
_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/n'
_cod_database_code               4062133
Reactivity of [MCl(η^3^-allyl)(1,10-phenanthroline)(CO)2] (M = Mo, W) Complexes toward Enolate Anions
Morales, Dolores; Navarro Clemente, M. Elena; Pérez, Julio; Riera, Lucía; Riera, Víctor; Miguel, Daniel; Organometallics 22 (2003) 4124–4128; doi:10.1021/om030275y

data_4062134
_publ_section_title
;
 Reactivity of [MCl(\h^3^-allyl)(1,10-phenanthroline)(CO)2] (M = Mo, W) Complexes
 toward Enolate Anions
;
_journal_issue                   20
_journal_name_full               Organometallics
_journal_page_first              4124
_journal_page_last               4128
_journal_paper_doi               10.1021/om030275y
_journal_volume                  22
_journal_year                    2003
_chemical_formula_sum            'C30 H23 Cl3 Mo N2 O3'
_chemical_formula_weight         661.79
_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                   19.693(4)
_cell_length_b                   10.350(2)
_cell_length_c                   13.524(3)
_cell_measurement_temperature    299(2)
_cell_volume                     2756.5(9)
_diffrn_ambient_temperature      299(2)
_exptl_crystal_density_diffrn    1.595
_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               4062134
Reactivity of [MCl(η^3^-allyl)(1,10-phenanthroline)(CO)2] (M = Mo, W) Complexes toward Enolate Anions
Morales, Dolores; Navarro Clemente, M. Elena; Pérez, Julio; Riera, Lucía; Riera, Víctor; Miguel, Daniel; Organometallics 22 (2003) 4124–4128; doi:10.1021/om030275y

data_4062135
_publ_section_title
;
 Reactivity of [MCl(\h^3^-allyl)(1,10-phenanthroline)(CO)2] (M = Mo, W) Complexes
 toward Enolate Anions
;
_journal_issue                   20
_journal_name_full               Organometallics
_journal_page_first              4124
_journal_page_last               4128
_journal_paper_doi               10.1021/om030275y
_journal_volume                  22
_journal_year                    2003
_chemical_formula_sum            'C20 H17 Mo N3 O2'
_chemical_formula_weight         427.31
_space_group_IT_number           88
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_Hall  '-I 4ad'
_symmetry_space_group_name_H-M   'I 41/a :2'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            16
_cell_length_a                   21.663(2)
_cell_length_b                   21.663(2)
_cell_length_c                   15.609(2)
_cell_measurement_temperature    299(2)
_cell_volume                     7325.1(15)
_diffrn_ambient_temperature      299(2)
_exptl_crystal_density_diffrn    1.550
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Tetragonal' changed to 'tetragonal'
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      'I 41/a'
_cod_database_code               4062135
; Organometallics  (2003) –; doi:

data_4062136
_journal_name_full               Organometallics
_journal_year                    2003
_chemical_formula_sum            'C63 H79 N O3 Zr'
_chemical_formula_weight         989.49
_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                 101.3020(8)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   16.2970(2)
_cell_length_b                   15.7960(2)
_cell_length_c                   22.0160(3)
_cell_measurement_temperature    110(2)
_cell_volume                     5557.62(12)
_diffrn_ambient_temperature      110(2)
_exptl_crystal_density_diffrn    1.183
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               4062136
; Organometallics  (2003) –; doi:

data_4062137
_journal_name_full               Organometallics
_journal_year                    2003
_chemical_formula_sum            'C17.5 H32 Cl4 N O0.5 Pd S2'
_chemical_formula_weight         576.76
_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            8
_cell_length_a                   28.3317(13)
_cell_length_b                   9.5796(4)
_cell_length_c                   18.3486(8)
_cell_measurement_temperature    183(2)
_cell_volume                     4979.9(4)
_diffrn_ambient_temperature      183(2)
_exptl_crystal_density_diffrn    1.539
_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_formula_sum        'C17.50 H32 Cl4 N O0.50 Pd S2'
_cod_database_code               4062137
; Organometallics  (2003) –; doi:

data_4062138
_journal_name_full               Organometallics
_journal_year                    2003
_chemical_formula_sum            'C17 H28 F3 N O3 Pd S3'
_chemical_formula_weight         553.98
_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                 97.15(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   21.541(4)
_cell_length_b                   12.051(2)
_cell_length_c                   8.919(2)
_cell_measurement_temperature    293(2)
_cell_volume                     2297.2(8)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.602
_cod_original_sg_symbol_H-M      'C 2'
_cod_database_code               4062138
A Palladium-Ferrocenyl Tetraphosphine System as Catalyst for Suzuki Cross-Coupling and Heck Vinylation of Aryl Halides: Dynamic Behavior of the Palladium/Phosphine Species.
Hierso, Jean-Cyrille; Fihri, Aziz; Amardeil, Régine; Meunier, Philippe; Doucet, Henri; Santelli, Maurice; Donnadieu, Bruno; Organometallics 22 (2003) 4490–4499; doi:10.1021/om0302948

data_4062139
_publ_section_title
;
A Palladium-Ferrocenyl Tetraphosphine System as Catalyst for Suzuki 
Cross-Coupling and Heck Vinylation of Aryl Halides: Dynamic Behavior 
of the Palladium/Phosphine Species.
;
_journal_issue                   22
_journal_name_full               Organometallics
_journal_page_first              4490
_journal_page_last               4499
_journal_paper_doi               10.1021/om0302948
_journal_volume                  22
_journal_year                    2003
_chemical_formula_sum            'C66 H62 Cl2 Fe P4 Pd'
_chemical_formula_weight         1212.19
_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                90.000(5)
_cell_angle_beta                 97.865(5)
_cell_angle_gamma                90.000(5)
_cell_formula_units_Z            4
_cell_length_a                   13.682(5)
_cell_length_b                   21.928(5)
_cell_length_c                   27.427(5)
_cell_measurement_temperature    180(2)
_cell_volume                     8151(4)
_diffrn_ambient_temperature      180(2)
_exptl_crystal_density_diffrn    0.988
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               4062139
A Palladium-Ferrocenyl Tetraphosphine System as Catalyst for Suzuki Cross-Coupling and Heck Vinylation of Aryl Halides: Dynamic Behavior of the Palladium/Phosphine Species.
Hierso, Jean-Cyrille; Fihri, Aziz; Amardeil, Régine; Meunier, Philippe; Doucet, Henri; Santelli, Maurice; Donnadieu, Bruno; Organometallics 22 (2003) 4490–4499; doi:10.1021/om0302948

data_4062140
_publ_section_title
;
A Palladium-Ferrocenyl Tetraphosphine System as Catalyst for Suzuki 
Cross-Coupling and Heck Vinylation of Aryl Halides: Dynamic Behavior 
of the Palladium/Phosphine Species.
;
_journal_issue                   22
_journal_name_full               Organometallics
_journal_page_first              4490
_journal_page_last               4499
_journal_paper_doi               10.1021/om0302948
_journal_volume                  22
_journal_year                    2003
_chemical_formula_sum            'C68 H64 Cl10 Fe P4 Pd2'
_chemical_formula_weight         1628.22
_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                90.000(5)
_cell_angle_beta                 105.951(5)
_cell_angle_gamma                90.000(5)
_cell_formula_units_Z            4
_cell_length_a                   14.288(5)
_cell_length_b                   22.874(5)
_cell_length_c                   21.427(5)
_cell_measurement_temperature    180(2)
_cell_volume                     6733(3)
_diffrn_ambient_temperature      180(2)
_exptl_crystal_density_diffrn    1.606
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               4062140