LMucko/crystallography-open-database huggingface dataset:
; Organometallics  (2005) –; doi:10.1021/om050367i

data_4061578
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om050367i
_journal_year                    2005
_chemical_formula_sum            'C22 H32 Fe N2'
_chemical_formula_weight         380.35
_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                   10.3055(10)
_cell_length_b                   13.7375(14)
_cell_length_c                   6.7946(7)
_cell_measurement_temperature    100(2)
_cell_volume                     961.92(17)
_diffrn_ambient_temperature      100(2)
_exptl_crystal_density_diffrn    1.313
_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               4061578
; Organometallics  (2005) –; doi:10.1021/om050371u

data_4061579
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om050371u
_journal_year                    2005
_chemical_formula_sum            'C4 H10 B F N2'
_chemical_formula_weight         115.95
_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                110.8025(11)
_cell_angle_beta                 95.0122(18)
_cell_angle_gamma                90.6428(17)
_cell_formula_units_Z            8
_cell_length_a                   5.53410(10)
_cell_length_b                   13.6738(5)
_cell_length_c                   19.0172(6)
_cell_measurement_temperature    110(2)
_cell_volume                     1338.74(7)
_diffrn_ambient_temperature      110(2)
_exptl_crystal_density_diffrn    1.151
_cod_database_code               4061579
; Organometallics  (2005) –; doi:10.1021/om0503747

data_4061580
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om0503747
_journal_year                    2005
_chemical_formula_sum            'C22 H47 N O5 Si4 W'
_chemical_formula_weight         701.82
_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                 97.42(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   12.196(2)
_cell_length_b                   13.590(3)
_cell_length_c                   19.382(4)
_cell_measurement_temperature    100(2)
_cell_volume                     3185.8(11)
_diffrn_ambient_temperature      100(2)
_exptl_crystal_density_diffrn    1.463
_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               4061580
; Organometallics  (2005) –; doi:10.1021/om0503747

data_4061581
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om0503747
_journal_year                    2005
_chemical_formula_sum            'C22 H47 Ge N O5 Si3 W'
_chemical_formula_weight         746.32
_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                 97.70(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   12.206(2)
_cell_length_b                   13.590(3)
_cell_length_c                   19.385(4)
_cell_measurement_temperature    100(2)
_cell_volume                     3186.5(11)
_diffrn_ambient_temperature      100(2)
_exptl_crystal_density_diffrn    1.556
_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               4061581
; Organometallics  (2005) –; doi:10.1021/om0503747

data_4061582
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om0503747
_journal_year                    2005
_chemical_formula_sum            'C26 H55 Li O11 Si3 Sn W'
_chemical_formula_weight         937.45
_space_group_IT_number           7
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  'P -2yac'
_symmetry_space_group_name_H-M   'P 1 n 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 91.61(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   13.136(3)
_cell_length_b                   11.189(2)
_cell_length_c                   13.592(3)
_cell_measurement_temperature    100(2)
_cell_volume                     1997.0(7)
_diffrn_ambient_temperature      100(2)
_exptl_crystal_density_diffrn    1.559
_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 n'
_cod_database_code               4061582
; Organometallics  (2005) –; doi:10.1021/om0503747

data_4061583
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om0503747
_journal_year                    2005
_chemical_formula_sum            'C26 H55 Li Mo O11 Si3 Sn'
_chemical_formula_weight         849.54
_space_group_IT_number           7
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  'P -2yac'
_symmetry_space_group_name_H-M   'P 1 n 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 91.64(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   13.171(3)
_cell_length_b                   11.244(2)
_cell_length_c                   13.646(3)
_cell_measurement_temperature    100(2)
_cell_volume                     2020.1(7)
_diffrn_ambient_temperature      100(2)
_exptl_crystal_density_diffrn    1.397
_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 n'
_cod_database_code               4061583
; Organometallics  (2005) –; doi:10.1021/om050392o

data_4061584
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om050392o
_journal_year                    2005
_chemical_formula_sum            'C67 H60 Ge2 P2 Pt2'
_chemical_formula_weight         1462.45
_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                112.2030(10)
_cell_angle_beta                 97.7050(10)
_cell_angle_gamma                102.8630(10)
_cell_formula_units_Z            1
_cell_length_a                   10.0439(2)
_cell_length_b                   12.5191(3)
_cell_length_c                   12.9326(3)
_cell_measurement_temperature    170(2)
_cell_volume                     1424.26(6)
_diffrn_ambient_temperature      170(2)
_exptl_crystal_density_diffrn    1.705
_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_sg_symbol_H-M      "'P -1"
_cod_database_code               4061584
Heteronuclear Molybdenum and Nickel Derivatives of the 16-Electron Half-Sandwich Complex Cp'Rh[E2C2(B10H10)] (E = S, Se)
Cai, Shuyi; Wang, Jian-Qiang; Jin, Guo-Xin; Organometallics 24 (2005) 4226–4231; doi:10.1021/om0503949

data_4061585
_publ_section_title
;
 Heteronuclear Molybdenum and Nickel Derivatives of the 16-Electron
 Half-Sandwich Complex Cp'Rh[E2C2(B10H10)] (E = S, Se)
;
_journal_coden_ASTM              ORGND7
_journal_issue                   17
_journal_name_full               Organometallics
_journal_page_first              4226
_journal_page_last               4231
_journal_paper_doi               10.1021/om0503949
_journal_volume                  24
_journal_year                    2005
_chemical_formula_sum            'C15 H31 B10 Rh Se2'
_chemical_formula_weight         580.33
_space_group_IT_number           62
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   22.400(7)
_cell_length_b                   15.332(5)
_cell_length_c                   6.956(2)
_cell_measurement_temperature    298(2)
_cell_volume                     2388.9(14)
_diffrn_ambient_temperature      298(2)
_exptl_crystal_density_diffrn    1.614
_cod_database_code               4061585
Heteronuclear Molybdenum and Nickel Derivatives of the 16-Electron Half-Sandwich Complex Cp'Rh[E2C2(B10H10)] (E = S, Se)
Cai, Shuyi; Wang, Jian-Qiang; Jin, Guo-Xin; Organometallics 24 (2005) 4226–4231; doi:10.1021/om0503949

data_4061586
_publ_section_title
;
 Heteronuclear Molybdenum and Nickel Derivatives of the 16-Electron
 Half-Sandwich Complex Cp'Rh[E2C2(B10H10)] (E = S, Se)
;
_journal_coden_ASTM              ORGND7
_journal_issue                   17
_journal_name_full               Organometallics
_journal_page_first              4226
_journal_page_last               4231
_journal_paper_doi               10.1021/om0503949
_journal_volume                  24
_journal_year                    2005
_chemical_formula_sum            'C32 H62 B20 Mo O2 Rh2 S4'
_chemical_formula_weight         1125.02
_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                 92.101(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   9.8867(13)
_cell_length_b                   22.777(3)
_cell_length_c                   24.723(3)
_cell_measurement_temperature    293(2)
_cell_volume                     5563.6(13)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.343
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               4061586
Heteronuclear Molybdenum and Nickel Derivatives of the 16-Electron Half-Sandwich Complex Cp'Rh[E2C2(B10H10)] (E = S, Se)
Cai, Shuyi; Wang, Jian-Qiang; Jin, Guo-Xin; Organometallics 24 (2005) 4226–4231; doi:10.1021/om0503949

data_4061587
_publ_section_title
;
 Heteronuclear Molybdenum and Nickel Derivatives of the 16-Electron
 Half-Sandwich Complex Cp'Rh[E2C2(B10H10)] (E = S, Se)
;
_journal_coden_ASTM              ORGND7
_journal_issue                   17
_journal_name_full               Organometallics
_journal_page_first              4226
_journal_page_last               4231
_journal_paper_doi               10.1021/om0503949
_journal_volume                  24
_journal_year                    2005
_chemical_formula_sum            'C32 H62 B20 Mo O2 Rh2 Se4'
_chemical_formula_weight         1312.62
_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                 92.530(5)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   9.991(3)
_cell_length_b                   23.134(6)
_cell_length_c                   24.827(6)
_cell_measurement_temperature    298(2)
_cell_volume                     5733(3)
_diffrn_ambient_temperature      298(2)
_exptl_crystal_density_diffrn    1.521
_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               4061587
Heteronuclear Molybdenum and Nickel Derivatives of the 16-Electron Half-Sandwich Complex Cp'Rh[E2C2(B10H10)] (E = S, Se)
Cai, Shuyi; Wang, Jian-Qiang; Jin, Guo-Xin; Organometallics 24 (2005) 4226–4231; doi:10.1021/om0503949

data_4061588
_publ_section_title
;
 Heteronuclear Molybdenum and Nickel Derivatives of the 16-Electron
 Half-Sandwich Complex Cp'Rh[E2C2(B10H10)] (E = S, Se)
;
_journal_coden_ASTM              ORGND7
_journal_issue                   17
_journal_name_full               Organometallics
_journal_page_first              4226
_journal_page_last               4231
_journal_paper_doi               10.1021/om0503949
_journal_volume                  24
_journal_year                    2005
_chemical_formula_sum            'C34 H64 B10 Rh2 S2'
_chemical_formula_weight         850.89
_space_group_IT_number           11
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yb'
_symmetry_space_group_name_H-M   'P 1 21/m 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 107.027(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   11.221(2)
_cell_length_b                   18.010(4)
_cell_length_c                   11.883(3)
_cell_measurement_temperature    298(2)
_cell_volume                     2296.2(8)
_diffrn_ambient_temperature      298(2)
_exptl_crystal_density_diffrn    1.231
_cod_original_sg_symbol_H-M      'P 21/m'
_cod_database_code               4061588
Heteronuclear Molybdenum and Nickel Derivatives of the 16-Electron Half-Sandwich Complex Cp'Rh[E2C2(B10H10)] (E = S, Se)
Cai, Shuyi; Wang, Jian-Qiang; Jin, Guo-Xin; Organometallics 24 (2005) 4226–4231; doi:10.1021/om0503949

data_4061589
_publ_section_title
;
 Heteronuclear Molybdenum and Nickel Derivatives of the 16-Electron
 Half-Sandwich Complex Cp'Rh[E2C2(B10H10)] (E = S, Se)
;
_journal_coden_ASTM              ORGND7
_journal_issue                   17
_journal_name_full               Organometallics
_journal_page_first              4226
_journal_page_last               4231
_journal_paper_doi               10.1021/om0503949
_journal_volume                  24
_journal_year                    2005
_chemical_formula_sum            'C30 H62 B20 Ni Rh2 S4'
_chemical_formula_weight         1031.77
_space_group_IT_number           155
_symmetry_cell_setting           rhombohedral
_symmetry_space_group_name_Hall  'R 3 2"'
_symmetry_space_group_name_H-M   'R 3 2 :H'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                120.00
_cell_formula_units_Z            9
_cell_length_a                   20.67(5)
_cell_length_b                   20.67(5)
_cell_length_c                   29.81(11)
_cell_measurement_temperature    293(2)
_cell_volume                     11035(57)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.397
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Rhombohedral' changed to 'rhombohedral'
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      'R 32'
_cod_database_code               4061589
Heteronuclear Molybdenum and Nickel Derivatives of the 16-Electron Half-Sandwich Complex Cp'Rh[E2C2(B10H10)] (E = S, Se)
Cai, Shuyi; Wang, Jian-Qiang; Jin, Guo-Xin; Organometallics 24 (2005) 4226–4231; doi:10.1021/om0503949

data_4061590
_publ_section_title
;
 Heteronuclear Molybdenum and Nickel Derivatives of the 16-Electron
 Half-Sandwich Complex Cp'Rh[E2C2(B10H10)] (E = S, Se)
;
_journal_coden_ASTM              ORGND7
_journal_issue                   17
_journal_name_full               Organometallics
_journal_page_first              4226
_journal_page_last               4231
_journal_paper_doi               10.1021/om0503949
_journal_volume                  24
_journal_year                    2005
_chemical_formula_sum            'C30 H62 B20 Ni Rh2 Se4'
_chemical_formula_weight         1219.37
_space_group_IT_number           155
_symmetry_cell_setting           hexagonal
_symmetry_space_group_name_Hall  'R 3 2"'
_symmetry_space_group_name_H-M   'R 3 2 :H'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                120.00
_cell_formula_units_Z            9
_cell_length_a                   20.882(2)
_cell_length_b                   20.882(2)
_cell_length_c                   30.075(5)
_cell_measurement_temperature    298(2)
_cell_volume                     11357(2)
_diffrn_ambient_temperature      298(2)
_exptl_crystal_density_diffrn    1.605
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' tag value 'hexahongal' was replaced with
'hexagonal' value.

Automatic conversion script
Id: cif_fix_values 1646 2011-03-28 12:23:43Z adriana 
;
_cod_original_sg_symbol_H-M      'R 32'
_cod_database_code               4061590
; Organometallics  (2005) –; doi:10.1021/om050403d

data_4061591
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om050403d
_journal_year                    2005
_chemical_formula_moiety         'C92 H90 Cl4 Fe2 P4'
_chemical_formula_sum            'C92 H90 Cl4 Fe2 P4'
_chemical_formula_weight         1573.02
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                85.882(5)
_cell_angle_beta                 79.527(5)
_cell_angle_gamma                73.952(5)
_cell_formula_units_Z            1
_cell_length_a                   9.587(5)
_cell_length_b                   13.173(5)
_cell_length_c                   16.586(5)
_cell_measurement_temperature    293(2)
_cell_volume                     1979.0(14)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.32
_cod_database_code               4061591
; Organometallics  (2005) –; doi:10.1021/om050403d

data_4061592
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om050403d
_journal_year                    2005
_chemical_formula_sum            'C204 H180 Fe4 N8 P8'
_chemical_formula_weight         3214.72
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yab'
_symmetry_space_group_name_H-M   'P 1 21/a 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 91.0230(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   21.6066(2)
_cell_length_b                   29.4422(2)
_cell_length_c                   31.0882(3)
_cell_measurement_temperature    293(2)
_cell_volume                     19773.5(3)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.080
_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/a'
_cod_database_code               4061592
; Organometallics  (2005) –; doi:10.1021/om050403d

data_4061593
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om050403d
_journal_year                    2005
_chemical_formula_sum            'C50 H43 F6 Fe P3'
_chemical_formula_weight         906.60
_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                 94.8887(4)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   12.36730(10)
_cell_length_b                   22.2881(2)
_cell_length_c                   16.1617(2)
_cell_measurement_temperature    293(2)
_cell_volume                     4438.66(8)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.357
_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               4061593