LMucko/crystallography-open-database huggingface dataset:
C–H Activation and C–C Coupling Reactions in 2-Vinylpyridine Cationic Complexes of Iridium
Navarro, Janeth; Sola, Eduardo; Martín, Marta; Dobrinovitch, Isabel T.; Lahoz, Fernando J.; Oro, Luis A.; Organometallics 23 (2004) 1908–1917; doi:10.1021/om049953m

data_4063164
_publ_section_title
;
 C--H Activation and C--C Coupling Reactions in 2-Vinylpyridine Cationic
 Complexes of Iridium
;
_journal_coden_ASTM              ORGND7
_journal_issue                   8
_journal_name_full               Organometallics
_journal_page_first              1908
_journal_page_last               1917
_journal_paper_doi               10.1021/om049953m
_journal_volume                  23
_journal_year                    2004
_chemical_formula_moiety         'C25 H38 Ir N3 P , B F4'
_chemical_formula_sum            'C25 H38 B F4 Ir N3 P'
_chemical_formula_weight         690.56
_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                72.9650(10)
_cell_angle_beta                 88.6210(10)
_cell_angle_gamma                85.8140(10)
_cell_formula_units_Z            4
_cell_length_a                   13.4686(8)
_cell_length_b                   14.3097(9)
_cell_length_c                   14.8785(9)
_cell_measurement_temperature    173(2)
_cell_volume                     2734.4(3)
_diffrn_ambient_temperature      173(2)
_exptl_crystal_density_diffrn    1.677
_cod_database_code               4063164
C‒H Activation and C‒C Coupling Reactions in 2-Vinylpyridine Cationic Complexes of Iridium
Navarro, Janeth; Sola, Eduardo; Martín, Marta; Dobrinovitch, Isabel T.; Lahoz, Fernando J.; Oro, Luis A.; Organometallics 23 (2004) 1908–1917; doi:10.1021/om049953m

data_4063165
_publ_section_title
;
 C--H Activation and C--C Coupling Reactions in 2-Vinylpyridine Cationic
 Complexes of Iridium
;
_journal_coden_ASTM              ORGND7
_journal_issue                   8
_journal_name_full               Organometallics
_journal_page_first              1908
_journal_page_last               1917
_journal_paper_doi               10.1021/om049953m
_journal_volume                  23
_journal_year                    2004
_chemical_formula_moiety         'C34 H44 Ir N3 P, B F4, C1.50 H3 Cl3'
_chemical_formula_sum            'C35.5 H47 B Cl3 F4 Ir N3 P'
_chemical_formula_weight         932.09
_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                 99.540(12)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   16.319(12)
_cell_length_b                   15.033(11)
_cell_length_c                   16.734(12)
_cell_measurement_temperature    100(2)
_cell_volume                     4049(5)
_diffrn_ambient_temperature      100(2)
_exptl_crystal_density_diffrn    1.529
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_original_formula_sum        'C35.50 H47 B Cl3 F4 Ir N3 P'
_cod_database_code               4063165
C–H Activation and C–C Coupling Reactions in 2-Vinylpyridine Cationic Complexes of Iridium
Navarro, Janeth; Sola, Eduardo; Martín, Marta; Dobrinovitch, Isabel T.; Lahoz, Fernando J.; Oro, Luis A.; Organometallics 23 (2004) 1908–1917; doi:10.1021/om049953m

data_4063166
_publ_section_title
;
 C--H Activation and C--C Coupling Reactions in 2-Vinylpyridine Cationic
 Complexes of Iridium
;
_journal_coden_ASTM              ORGND7
_journal_issue                   8
_journal_name_full               Organometallics
_journal_page_first              1908
_journal_page_last               1917
_journal_paper_doi               10.1021/om049953m
_journal_volume                  23
_journal_year                    2004
_chemical_formula_moiety         'C29 H45 Ir N2 P, B F4 '
_chemical_formula_sum            'C29 H45 B F4 Ir N2 P'
_chemical_formula_weight         731.65
_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                84.807(2)
_cell_angle_beta                 83.979(2)
_cell_angle_gamma                89.197(2)
_cell_formula_units_Z            2
_cell_length_a                   9.6171(13)
_cell_length_b                   9.6574(13)
_cell_length_c                   16.812(2)
_cell_measurement_temperature    173(2)
_cell_volume                     1546.4(4)
_diffrn_ambient_temperature      173(2)
_exptl_crystal_density_diffrn    1.571
_cod_database_code               4063166
; Organometallics  (2004) –; doi:

data_4063167
_journal_name_full               Organometallics
_journal_year                    2004
_chemical_formula_sum            'C34 H50 B2 K2 N8 O2'
_chemical_formula_weight         702.64
_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                 120.552(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   19.652(3)
_cell_length_b                   18.294(2)
_cell_length_c                   11.9262(17)
_cell_measurement_temperature    173(2)
_cell_volume                     3692.4(9)
_diffrn_ambient_temperature      173(2)
_exptl_crystal_density_diffrn    1.264
_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_database_code               4063167
; Organometallics  (2004) –; doi:

data_4063168
_journal_name_full               Organometallics
_journal_year                    2004
_chemical_formula_sum            'C59 H80 B4 Li4 N18 O3'
_chemical_formula_weight         1160.41
_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                96.557(11)
_cell_angle_beta                 107.462(10)
_cell_angle_gamma                113.098(10)
_cell_formula_units_Z            2
_cell_length_a                   13.7072(18)
_cell_length_b                   14.255(2)
_cell_length_c                   19.550(3)
_cell_measurement_temperature    100(2)
_cell_volume                     3232.7(7)
_diffrn_ambient_temperature      100(2)
_exptl_crystal_density_diffrn    1.192
_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               4063168
; Organometallics  (2004) –; doi:10.1021/om049957r

data_4063169
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om049957r
_journal_year                    2004
_chemical_formula_moiety         'C11 H12 N O5 P'
_chemical_formula_sum            'C11 H12 N O5 P'
_chemical_formula_weight         269.19
_chemical_name_common            'isonicotinoyl pentaerythritol phosphite'
_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                 100.407(12)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   6.276(3)
_cell_length_b                   10.223(5)
_cell_length_c                   9.694(5)
_cell_measurement_temperature    293(2)
_cell_volume                     611.7(5)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.461
_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               4063169
; Organometallics  (2004) –; doi:10.1021/om049957r

data_4063170
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om049957r
_journal_year                    2004
_chemical_formula_sum            'C26 H30 Mn2 O11 P2'
_chemical_formula_weight         690.32
_chemical_name_common
'[(MeCp)Mn(CO)~2~]~2~(dipentaerythritol diphosphite)'
_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                 92.179(5)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   15.0246(15)
_cell_length_b                   12.0315(10)
_cell_length_c                   32.234(3)
_cell_measurement_temperature    293(2)
_cell_volume                     5822.6(9)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.575
_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_database_code               4063170
; Organometallics  (2004) –; doi:10.1021/om049957r

data_4063171
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om049957r
_journal_year                    2004
_chemical_formula_moiety         'Cu Br, (C10H16O7P2), (CH3CN)'
_chemical_formula_sum            'C12 H19 Br Cu N O7 P2'
_chemical_formula_weight         494.67
_chemical_name_common
;
 [CuBr(dipentaerythritol diphosphite)]-acetonitrile
;
_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                 99.621(9)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   10.192(3)
_cell_length_b                   16.512(5)
_cell_length_c                   10.833(3)
_cell_measurement_temperature    153(2)
_cell_volume                     1797.4(9)
_diffrn_ambient_temperature      153(2)
_exptl_crystal_density_diffrn    1.828
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               4063171
; Organometallics  (2004) –; doi:

data_4063172
_journal_name_full               Organometallics
_journal_year                    2004
_chemical_formula_sum            'C13 H30 B2 Ir P'
_chemical_formula_weight         431.16
_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                 101.0350(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   13.8721(6)
_cell_length_b                   8.3612(3)
_cell_length_c                   15.1509(6)
_cell_measurement_temperature    100(2)
_cell_volume                     1724.82(12)
_diffrn_ambient_temperature      100(2)
_exptl_crystal_density_diffrn    1.660
_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               4063172
; Organometallics  (2004) –; doi:

data_4063173
_journal_name_full               Organometallics
_journal_year                    2004
_chemical_formula_sum            'C23 H34 B2 Ir P'
_chemical_formula_weight         555.29
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 98.5430(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   13.3097(7)
_cell_length_b                   20.8741(10)
_cell_length_c                   8.5511(4)
_cell_measurement_temperature    100(2)
_cell_volume                     2349.4(2)
_diffrn_ambient_temperature      100(2)
_exptl_crystal_density_diffrn    1.570
_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               4063173
; Organometallics  (2004) –; doi:

data_4063174
_journal_name_full               Organometallics
_journal_year                    2004
_chemical_formula_sum            'C15 H26 B2 Ir N'
_chemical_formula_weight         434.19
_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                 114.1280(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   13.4635(8)
_cell_length_b                   9.4005(6)
_cell_length_c                   14.0187(9)
_cell_measurement_temperature    100(2)
_cell_volume                     1619.25(18)
_diffrn_ambient_temperature      100(2)
_exptl_crystal_density_diffrn    1.781
_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               4063174
; Organometallics  (2004) –; doi:

data_4063175
_journal_name_full               Organometallics
_journal_year                    2004
_chemical_formula_sum            'C10 H23 B4 Br2 Ir'
_chemical_formula_weight         538.54
_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                 99.5380(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   9.4317(5)
_cell_length_b                   13.4815(6)
_cell_length_c                   12.5332(6)
_cell_measurement_temperature    100(2)
_cell_volume                     1571.61(13)
_diffrn_ambient_temperature      100(2)
_exptl_crystal_density_diffrn    2.276
_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               4063175
; Organometallics  (2004) –; doi:10.1021/om0499658

data_4063176
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om0499658
_journal_year                    2004
_chemical_formula_sum            'C47 H56 N2 Ni P'
_chemical_formula_weight         738.62
_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                 108.381(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   11.9854(15)
_cell_length_b                   20.481(3)
_cell_length_c                   18.536(2)
_cell_measurement_temperature    293(2)
_cell_volume                     4318.0(10)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.136
_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               4063176
; Organometallics  (2004) –; doi:10.1021/om0499658

data_4063177
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om0499658
_journal_year                    2004
_chemical_formula_sum            'C41 H44 N Ni O P'
_chemical_formula_weight         656.45
_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                84.184(3)
_cell_angle_beta                 80.258(3)
_cell_angle_gamma                69.734(3)
_cell_formula_units_Z            2
_cell_length_a                   9.252(2)
_cell_length_b                   9.611(2)
_cell_length_c                   21.215(5)
_cell_measurement_temperature    298(2)
_cell_volume                     1742.2(7)
_diffrn_ambient_temperature      298(2)
_exptl_crystal_density_diffrn    1.251
_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               4063177
; Organometallics  (2004) –; doi:10.1021/om0499658

data_4063178
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om0499658
_journal_year                    2004
_chemical_formula_sum            'C44 H44 N Ni O P'
_chemical_formula_weight         692.48
_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                98.765(2)
_cell_angle_beta                 97.512(3)
_cell_angle_gamma                103.571(2)
_cell_formula_units_Z            2
_cell_length_a                   8.7839(16)
_cell_length_b                   9.7859(18)
_cell_length_c                   22.642(4)
_cell_measurement_temperature    298(2)
_cell_volume                     1841.5(6)
_diffrn_ambient_temperature      298(2)
_exptl_crystal_density_diffrn    1.249
_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               4063178
; Organometallics  (2004) –; doi:10.1021/om0499660

data_4063179
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om0499660
_journal_year                    2004
_chemical_formula_moiety         'C13 H33 Fe N O P4, C3.5 H4 '
_chemical_formula_sum            'C16.5 H37 Fe N O P4'
_chemical_formula_weight         445.23
_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                 98.222(2)
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   29.110(3)
_cell_length_b                   14.188(2)
_cell_length_c                   11.250(1)
_cell_measurement_temperature    158.2
_cell_volume                     4598.6(8)
_diffrn_ambient_temperature      158.2
_exptl_crystal_density_diffrn    1.289
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_original_formula_sum        'C16.50 H37 Fe N O P4 '
_cod_database_code               4063179
; Organometallics  (2004) –; doi:10.1021/om0499660

data_4063180
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om0499660
_journal_year                    2004
_chemical_formula_moiety         'C12 H35 Fe N P4'
_chemical_formula_sum            'C12 H35 Fe N P4'
_chemical_formula_weight         373.16
_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                 91.736(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.5433(3)
_cell_length_b                   12.2238(4)
_cell_length_c                   16.8938(5)
_cell_measurement_temperature    154.2
_cell_volume                     1969.8(1)
_diffrn_ambient_temperature      154.2
_exptl_crystal_density_diffrn    1.258
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               4063180
; Organometallics  (2004) –; doi:10.1021/om0499660

data_4063181
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om0499660
_journal_year                    2004
_chemical_formula_moiety         'C12 H39 Fe N O2 P4 '
_chemical_formula_sum            'C12 H39 Fe N O2 P4'
_chemical_formula_weight         409.19
_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                 115.956(1)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.103(1)
_cell_length_b                   25.854(3)
_cell_length_c                   9.764(1)
_cell_measurement_temperature    181.2
_cell_volume                     2066.1(4)
_diffrn_ambient_temperature      181.2
_exptl_crystal_density_diffrn    1.315
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_original_formula_sum        'C12 H39 Fe N O2 P4 '
_cod_database_code               4063181