LMucko/crystallography-open-database huggingface dataset:
; Organometallics  (2005) –; doi:10.1021/om050572y

data_4061714
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om050572y
_journal_year                    2005
_chemical_formula_moiety         '[tBu3Ga]'
_chemical_formula_sum            'C12 H27 Ga'
_chemical_formula_weight         241.06
_space_group_IT_number           13
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yc'
_symmetry_space_group_name_H-M   'P 1 2/c 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 100.086(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            6
_cell_length_a                   15.807(8)
_cell_length_b                   9.002(4)
_cell_length_c                   15.455(7)
_cell_measurement_temperature    220(2)
_cell_volume                     2165.2(18)
_diffrn_ambient_temperature      220(2)
_exptl_crystal_density_diffrn    1.109
_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 2/c'
_cod_database_code               4061714
; Organometallics  (2005) –; doi:10.1021/om050572y

data_4061715
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om050572y
_journal_year                    2005
_chemical_formula_moiety         ' C12 H27 In1 '
_chemical_formula_sum            'C12 H27 In'
_chemical_formula_weight         286.17
_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
_cell_angle_beta                 105.1466(14)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   14.6447(4)
_cell_length_b                   9.2183(3)
_cell_length_c                   10.9815(3)
_cell_measurement_temperature    150
_cell_volume                     1431.0
_diffrn_ambient_temperature      150
_exptl_crystal_density_diffrn    1.328
_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_original_formula_sum        'C12 H27 In1'
_cod_database_code               4061715
; Organometallics  (2005) –; doi:10.1021/om050573q

data_4061716
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om050573q
_journal_year                    2005
_chemical_formula_sum            'C37 H33 F3 N2 O2 P Rh S'
_chemical_formula_weight         760.59
_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                 92.871(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   11.9599(6)
_cell_length_b                   18.4790(9)
_cell_length_c                   15.7470(7)
_cell_measurement_temperature    100(2)
_cell_volume                     3475.8(3)
_diffrn_ambient_temperature      100(2)
_exptl_crystal_density_diffrn    1.453
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               4061716
; Organometallics  (2005) –; doi:10.1021/om050573q

data_4061717
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om050573q
_journal_year                    2005
_chemical_formula_sum            'C44 H35 Cl2 F3 N6 P Rh'
_chemical_formula_weight         909.56
_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                 95.826(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   18.6130(8)
_cell_length_b                   10.1753(4)
_cell_length_c                   21.6122(11)
_cell_measurement_temperature    100(2)
_cell_volume                     4072.1(3)
_diffrn_ambient_temperature      100(2)
_exptl_crystal_density_diffrn    1.484
_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               4061717
; Organometallics  (2005) –; doi:10.1021/om050573q

data_4061718
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om050573q
_journal_year                    2005
_chemical_formula_sum            'C47 H35 D6 F3 N2 O3 P Rh'
_chemical_formula_weight         878.70
_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                86.404(2)
_cell_angle_beta                 83.216(2)
_cell_angle_gamma                81.008(2)
_cell_formula_units_Z            2
_cell_length_a                   9.4633(4)
_cell_length_b                   14.5730(6)
_cell_length_c                   14.9666(6)
_cell_measurement_temperature    100(2)
_cell_volume                     2022.32(14)
_diffrn_ambient_temperature      100(2)
_exptl_crystal_density_diffrn    1.443
_cod_database_code               4061718
; Organometallics  (2005) –; doi:10.1021/om050573q

data_4061719
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om050573q
_journal_year                    2005
_chemical_formula_sum            'C48 H38 Cl6 F24 I2 N4 Rh2'
_chemical_formula_weight         1799.14
_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                 95.397(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   29.9171(14)
_cell_length_b                   16.2557(7)
_cell_length_c                   12.9824(6)
_cell_measurement_temperature    100(2)
_cell_volume                     6285.7(5)
_diffrn_ambient_temperature      100(2)
_exptl_crystal_density_diffrn    1.901
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               4061719
Aluminum derivatives of a new chiral binucleating ligand
; Organometallics  (2005) –; doi:

data_4061720
_publ_section_title
;
Aluminum derivatives of a new chiral binucleating ligand
;
_journal_name_full               Organometallics
_journal_year                    2005
_chemical_formula_sum            'C50 H52 N2 O4'
_chemical_formula_weight         744.94
_chemical_name_common            LH2(Et2O)
_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                   7.9529(6)
_cell_length_b                   16.6653(11)
_cell_length_c                   30.830(2)
_cell_measurement_temperature    139(2)
_cell_volume                     4086.1(5)
_diffrn_ambient_temperature      139(2)
_exptl_crystal_density_diffrn    1.211
_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               4061720
; Organometallics  (2005) –; doi:

data_4061721
_journal_name_full               Organometallics
_journal_year                    2005
_chemical_formula_sum            'C62 H76 Al2 N2 O3'
_chemical_formula_weight         951.21
_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                 100.301(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   10.2369(9)
_cell_length_b                   12.5527(11)
_cell_length_c                   21.4906(19)
_cell_measurement_temperature    137(2)
_cell_volume                     2717.0(4)
_diffrn_ambient_temperature      137(2)
_exptl_crystal_density_diffrn    1.163
_cod_original_sg_symbol_H-M      'P 21'
_cod_database_code               4061721
; Organometallics  (2005) –; doi:

data_4061722
_journal_name_full               Organometallics
_journal_year                    2005
_chemical_formula_sum            'C56 H70 Al4 N2 O3'
_chemical_formula_weight         927.06
_space_group_IT_number           20
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'C 2c 2'
_symmetry_space_group_name_H-M   'C 2 2 21'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   13.1193(6)
_cell_length_b                   17.4889(7)
_cell_length_c                   22.9015(10)
_cell_measurement_temperature    140(2)
_cell_volume                     5254.6(4)
_diffrn_ambient_temperature      140(2)
_exptl_crystal_density_diffrn    1.172
_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               4061722
Carpentier; Lehmann; Organometallics  (2005) –; doi:10.1021/om0505817

data_4061723
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om0505817
_journal_year                    2005
_chemical_formula_moiety         'C26.25 H42.50 N2.50 O3 Zr'
_chemical_formula_sum            'C26.25 H42.5 N2.5 O3 Zr'
_chemical_formula_weight         532.35
_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                75.4540(10)
_cell_angle_beta                 76.6110(10)
_cell_angle_gamma                80.5690(10)
_cell_formula_units_Z            4
_cell_length_a                   10.2018(3)
_cell_length_b                   15.2094(4)
_cell_length_c                   19.0889(5)
_cell_measurement_temperature    100
_cell_volume                     2771.41(13)
_diffrn_ambient_temperature      100
_exptl_crystal_density_diffrn    1.276
_cod_depositor_comments
;
The following automatic conversions were performed:
'_geom_bond_publ_flag' value 'N' changed to 'n' according to
'/home/saulius/struct/CIF-dictionaries/cif_core.dic' dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29 (94 times).

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_formula_sum        'C26.25 H42.50 N2.50 O3 Zr'
_cod_database_code               4061723
Carpentier; Lehmann; Organometallics  (2005) –; doi:10.1021/om0505817

data_4061724
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om0505817
_journal_year                    2005
_chemical_formula_sum            'C46 H47 Cl2 N O2 Ti'
_chemical_formula_weight         764.65
_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                93.4990(10)
_cell_angle_beta                 103.2690(10)
_cell_angle_gamma                97.669(2)
_cell_formula_units_Z            2
_cell_length_a                   11.6927(2)
_cell_length_b                   12.8447(3)
_cell_length_c                   13.5239(4)
_cell_measurement_temperature    120(1)
_cell_volume                     1950.37(8)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.302
_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               4061724
Carpentier; Lehmann; Organometallics  (2005) –; doi:10.1021/om0505817

data_4061725
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om0505817
_journal_year                    2005
_chemical_formula_sum            'C27 H35 Cl2 N O2 Ti'
_chemical_formula_weight         524.36
_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                 95.0630(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   8.9747(2)
_cell_length_b                   17.5058(4)
_cell_length_c                   17.6712(4)
_cell_measurement_temperature    150(1)
_cell_volume                     2765.48(11)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.259
_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               4061725
Carpentier; Lehmann; Organometallics  (2005) –; doi:10.1021/om0505817

data_4061726
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om0505817
_journal_year                    2005
_chemical_formula_sum            'C35 H43 N O2 Zr'
_chemical_formula_weight         600.92
_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                88.381(3)
_cell_angle_beta                 82.016(3)
_cell_angle_gamma                87.221(3)
_cell_formula_units_Z            2
_cell_length_a                   8.2126(15)
_cell_length_b                   11.844(2)
_cell_length_c                   15.873(3)
_cell_measurement_temperature    100(2)
_cell_volume                     1526.9(5)
_diffrn_ambient_temperature      100(2)
_exptl_crystal_density_diffrn    1.307
_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               4061726
Carpentier; Lehmann; Organometallics  (2005) –; doi:10.1021/om0505817

data_4061727
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om0505817
_journal_year                    2005
_chemical_formula_moiety         'C21 H37 N O4 Ti'
_chemical_formula_sum            'C21 H37 N O4 Ti'
_chemical_formula_weight         415.42
_space_group_IT_number           61
_space_group_name_Hall           '-P 2ac 2ab'
_space_group_name_H-M_alt        'P b c a'
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      61
_symmetry_space_group_name_Hall  '-P 2ac 2ab'
_symmetry_space_group_name_H-M   'P b c a'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   9.23220(10)
_cell_length_b                   16.1665(2)
_cell_length_c                   30.0860(5)
_cell_measurement_temperature    100
_cell_volume                     4490.41(10)
_diffrn_ambient_temperature      100
_exptl_crystal_density_diffrn    1.229
_cod_depositor_comments
;
The following automatic conversions were performed:
'_geom_bond_publ_flag' value 'N' changed to 'n' according to
'/home/saulius/struct/CIF-dictionaries/cif_core.dic' dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29 (38 times).

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_sg_symbol_Hall     '-P 2ac 2ab '
_cod_database_code               4061727
Carpentier; Lehmann; Organometallics  (2005) –; doi:10.1021/om0505817

data_4061728
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om0505817
_journal_year                    2005
_chemical_formula_sum            'C65 H104 N4 O8 Zr2'
_chemical_formula_weight         1251.96
_space_group_IT_number           61
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2ac 2ab'
_symmetry_space_group_name_H-M   'P b c a'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   25.9133(2)
_cell_length_b                   21.78440(10)
_cell_length_c                   23.7752(2)
_cell_measurement_temperature    120(1)
_cell_volume                     13421.24(17)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.239
_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               4061728
Synthesis and Reactivity of the Nine- and Ten-Vertex Iron-Monocarborane Anions [7,7,7-(CO)~3~-closo-7,1-FeCB~7~H~8~]- and [6,6,6,10,10,10-(CO)~6~-closo-6,1-FeCB~7~H~8~]-
Franken, Andreas; McGrath, Thomas D.; Stone, F. Gordon A.; Organometallics  (2005) –; doi:10.1021/om050584j

data_4061729
_publ_section_title
;
  Synthesis and Reactivity of the Nine- and Ten-Vertex
  Iron-Monocarborane Anions [7,7,7-(CO)~3~-closo-7,1-FeCB~7~H~8~]-
  and [6,6,6,10,10,10-(CO)~6~-closo-6,1-FeCB~7~H~8~]-
;
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om050584j
_journal_year                    2005
_chemical_formula_sum            'C58 H53 Ag B7 Fe O3 P3'
_chemical_formula_weight         1130.30
_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                86.029(3)
_cell_angle_beta                 75.552(2)
_cell_angle_gamma                67.204(2)
_cell_formula_units_Z            2
_cell_length_a                   11.4489(7)
_cell_length_b                   13.3757(8)
_cell_length_c                   19.6269(12)
_cell_measurement_temperature    110(2)
_cell_volume                     2681.9(3)
_diffrn_ambient_temperature      110(2)
_exptl_crystal_density_diffrn    1.400
_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               4061729
Synthesis and Reactivity of the Nine- and Ten-Vertex Iron-Monocarborane Anions [7,7,7-(CO)~3~-closo-7,1-FeCB~7~H~8~]- and [6,6,6,10,10,10-(CO)~6~-closo-6,1-FeCB~7~H~8~]-
Franken, Andreas; McGrath, Thomas D.; Stone, F. Gordon A.; Organometallics  (2005) –; doi:10.1021/om050584j

data_4061730
_publ_section_title
;
  Synthesis and Reactivity of the Nine- and Ten-Vertex
  Iron-Monocarborane Anions [7,7,7-(CO)~3~-closo-7,1-FeCB~7~H~8~]-
  and [6,6,6,10,10,10-(CO)~6~-closo-6,1-FeCB~7~H~8~]-
;
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om050584j
_journal_year                    2005
_chemical_formula_sum            'C43 H38 B7 Fe2 N O6 P2'
_chemical_formula_weight         914.05
_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                 105.643(6)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   16.6125(19)
_cell_length_b                   13.5446(17)
_cell_length_c                   19.846(3)
_cell_measurement_temperature    110(2)
_cell_volume                     4300.2(9)
_diffrn_ambient_temperature      110(2)
_exptl_crystal_density_diffrn    1.412
_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               4061730