LMucko/crystallography-open-database huggingface dataset:
; Organometallics  (2004) –; doi:10.1021/om049568x

data_4062720
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om049568x
_journal_year                    2004
_chemical_formula_sum            'C62 H76 O4 Zn2'
_chemical_formula_weight         1015.97
_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                 112.6911(17)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   12.3180(3)
_cell_length_b                   42.2240(15)
_cell_length_c                   11.1870(4)
_cell_measurement_temperature    110(2)
_cell_volume                     5368.2(3)
_diffrn_ambient_temperature      110(2)
_exptl_crystal_density_diffrn    1.257
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               4062720
; Organometallics  (2004) –; doi:10.1021/om049571g

data_4062721
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om049571g
_journal_year                    2004
_chemical_formula_sum            'C69 H109 Ga2 K N8'
_chemical_formula_weight         1229.18
_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                 114.31(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   21.284(4)
_cell_length_b                   15.538(3)
_cell_length_c                   23.066(5)
_cell_measurement_temperature    150(2)
_cell_volume                     6952(2)
_diffrn_ambient_temperature      150(2)
_exptl_crystal_density_diffrn    1.174
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               4062721
; Organometallics  (2004) –; doi:10.1021/om049571g

data_4062722
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om049571g
_journal_year                    2004
_chemical_formula_sum            'C72.5 H113 Ga2 K N8'
_chemical_formula_weight         1275.25
_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                 107.65(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   13.074(3)
_cell_length_b                   43.191(9)
_cell_length_c                   13.836(3)
_cell_measurement_temperature    150(2)
_cell_volume                     7445(3)
_diffrn_ambient_temperature      150(2)
_exptl_crystal_density_diffrn    1.138
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_original_formula_sum        'C72.50 H113 Ga2 K N8'
_cod_database_code               4062722
; Organometallics  (2004) –; doi:10.1021/om049580p

data_4062723
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om049580p
_journal_year                    2004
_chemical_formula_sum            'C43 H34 I N P2 Pd S'
_chemical_formula_weight         892.01
_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                 109.686(4)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   18.6773(11)
_cell_length_b                   10.1129(7)
_cell_length_c                   21.2647(12)
_cell_measurement_temperature    133(2)
_cell_volume                     3781.8(4)
_diffrn_ambient_temperature      133(2)
_exptl_crystal_density_diffrn    1.567
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               4062723
; Organometallics  (2004) –; doi:10.1021/om049580p

data_4062724
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om049580p
_journal_year                    2004
_chemical_formula_sum            'C35 H33 Cl3 F3 N5 O3 Pd S'
_chemical_formula_weight         873.47
_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                 107.358(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   19.4435(12)
_cell_length_b                   17.2646(12)
_cell_length_c                   23.0688(12)
_cell_measurement_temperature    133(2)
_cell_volume                     7391.2(8)
_diffrn_ambient_temperature      133(2)
_exptl_crystal_density_diffrn    1.570
_cod_depositor_comments
;
The following automatic conversions were performed:
'_geom_bond_publ_flag' value 'Y' changed to 'y' according to
'/home/saulius/struct/CIF-dictionaries/cif_core.dic' dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29 (6 times).

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               4062724
; Organometallics  (2004) –; doi:10.1021/om049580p

data_4062725
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om049580p
_journal_year                    2004
_chemical_formula_sum            'C43 H43 I N5 O0.5 Pd'
_chemical_formula_weight         871.12
_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                 99.538(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   11.6858(11)
_cell_length_b                   12.4756(12)
_cell_length_c                   27.123(2)
_cell_measurement_temperature    133(2)
_cell_volume                     3899.5(6)
_diffrn_ambient_temperature      133(2)
_exptl_crystal_density_diffrn    1.484
_cod_depositor_comments
;
The following automatic conversions were performed:
'_geom_bond_publ_flag' value 'Y' changed to 'y' according to
'/home/saulius/struct/CIF-dictionaries/cif_core.dic' dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29 (53 times).

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_original_formula_sum        'C43 H43 I N5 O0.50 Pd'
_cod_database_code               4062725
; Organometallics  (2004) –; doi:10.1021/om049580p

data_4062726
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om049580p
_journal_year                    2004
_chemical_formula_sum            'C57 H51 F3 N4 O3 P2 Pd S'
_chemical_formula_weight         1097.42
_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                 98.850(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   19.3279(12)
_cell_length_b                   17.2145(11)
_cell_length_c                   15.9880(11)
_cell_measurement_temperature    133(2)
_cell_volume                     5256.2(6)
_diffrn_ambient_temperature      133(2)
_exptl_crystal_density_diffrn    1.387
_cod_depositor_comments
;
The following automatic conversions were performed:
'_geom_bond_publ_flag' value 'Y' changed to 'y' according to
'/home/saulius/struct/CIF-dictionaries/cif_core.dic' dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29 (25 times).

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               4062726
; Organometallics  (2004) –; doi:10.1021/om049580p

data_4062727
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om049580p
_journal_year                    2004
_chemical_formula_sum            'C20 H18 N2 O4'
_chemical_formula_weight         350.36
_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                 93.920(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   6.2487(6)
_cell_length_b                   23.830(2)
_cell_length_c                   11.5383(11)
_cell_measurement_temperature    133(2)
_cell_volume                     1714.1(3)
_diffrn_ambient_temperature      133(2)
_exptl_crystal_density_diffrn    1.358
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               4062727
; Organometallics  (2004) –; doi:10.1021/om049580p

data_4062728
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om049580p
_journal_year                    2004
_chemical_formula_sum            'C28 H22 N2'
_chemical_formula_weight         386.48
_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                105.899(3)
_cell_angle_beta                 98.506(3)
_cell_angle_gamma                92.791(3)
_cell_formula_units_Z            6
_cell_length_a                   12.7148(16)
_cell_length_b                   14.3523(18)
_cell_length_c                   17.725(3)
_cell_measurement_temperature    133(2)
_cell_volume                     3063.1(8)
_diffrn_ambient_temperature      133(2)
_exptl_crystal_density_diffrn    1.257
_cod_database_code               4062728
; Organometallics  (2004) –; doi:10.1021/om049589r

data_4062729
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om049589r
_journal_year                    2004
_chemical_formula_sum            'C44 H60 O Zr2'
_chemical_formula_weight         787.36
_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                 92.18(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   14.045(3)
_cell_length_b                   17.604(4)
_cell_length_c                   30.080(6)
_cell_measurement_temperature    200(2)
_cell_volume                     7432(3)
_diffrn_ambient_temperature      200(2)
_exptl_crystal_density_diffrn    1.407
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               4062729
; Organometallics  (2004) –; doi:10.1021/om049589r

data_4062730
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om049589r
_journal_year                    2004
_chemical_formula_sum            'C25 H35 Al F N Zr'
_chemical_formula_weight         486.74
_space_group_IT_number           19
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'P 2ac 2ab'
_symmetry_space_group_name_H-M   'P 21 21 21'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   10.955(2)
_cell_length_b                   13.275(3)
_cell_length_c                   17.147(3)
_cell_measurement_temperature    200(2)
_cell_volume                     2493.6(8)
_diffrn_ambient_temperature      200(2)
_exptl_crystal_density_diffrn    1.296
_cod_database_code               4062730
; Organometallics  (2004) –; doi:10.1021/om049589r

data_4062731
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om049589r
_journal_year                    2004
_chemical_formula_sum            'C25 H36 Al N Zr'
_chemical_formula_weight         468.75
_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                   11.008(2)
_cell_length_b                   13.164(3)
_cell_length_c                   17.199(3)
_cell_measurement_temperature    293(2)
_cell_volume                     2492.3(8)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.249
_cod_database_code               4062731
Synthesis of the first Family of Rhodium(I) Perfluoroalkyl Complexes from Rhodium(I) Fluoro Complexes
; Organometallics  (2004) –; doi:10.1021/om049592a

data_4062732
_publ_section_title
;
  Synthesis of the first Family of
Rhodium(I) Perfluoroalkyl Complexes
from Rhodium(I) Fluoro Complexes
;
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om049592a
_journal_year                    2004
_chemical_formula_sum            'C37 H33 F3 N2 P Rh'
_chemical_formula_weight         696.53
_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                 112.700(4)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   15.9615(9)
_cell_length_b                   11.1136(9)
_cell_length_c                   19.4852(12)
_cell_measurement_temperature    173(2)
_cell_volume                     3188.7(4)
_diffrn_ambient_temperature      173(2)
_exptl_crystal_density_diffrn    1.451
_refine_ls_R_factor_obs          0.0361
_refine_ls_wR_factor_obs         0.0825
_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               4062732
Synthesis of the first Family of Rhodium(I) Perfluoroalkyl Complexes from Rhodium(I) Fluoro Complexes
; Organometallics  (2004) –; doi:10.1021/om049592a

data_4062733
_publ_section_title
;
  Synthesis of the first Family of
Rhodium(I) Perfluoroalkyl Complexes
from Rhodium(I) Fluoro Complexes
;
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om049592a
_journal_year                    2004
_chemical_formula_sum            'C38 H35 Cl2 F3 N2 O2 P Rh'
_chemical_formula_weight         813.46
_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                 103.809(1)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   17.8190(8)
_cell_length_b                   9.5009(5)
_cell_length_c                   21.6317(10)
_cell_measurement_temperature    100(2)
_cell_volume                     3556.3(3)
_diffrn_ambient_temperature      100(2)
_exptl_crystal_density_diffrn    1.519
_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               4062733
Synthesis of the first Family of Rhodium(I) Perfluoroalkyl Complexes from Rhodium(I) Fluoro Complexes
; Organometallics  (2004) –; doi:10.1021/om049592a

data_4062734
_publ_section_title
;
  Synthesis of the first Family of
Rhodium(I) Perfluoroalkyl Complexes
from Rhodium(I) Fluoro Complexes
;
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om049592a
_journal_year                    2004
_chemical_formula_sum            'C46 H42 F3 N3 P Rh'
_chemical_formula_weight         827.71
_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                107.118(3)
_cell_angle_beta                 93.460(4)
_cell_angle_gamma                101.193(4)
_cell_formula_units_Z            2
_cell_length_a                   11.4854(6)
_cell_length_b                   12.1920(5)
_cell_length_c                   15.3971(6)
_cell_measurement_temperature    173(2)
_cell_volume                     2005.4(2)
_diffrn_ambient_temperature      173(2)
_exptl_crystal_density_diffrn    1.371
_refine_ls_R_factor_obs          0.0283
_refine_ls_wR_factor_obs         0.0783
_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               4062734
; Organometallics  (2004) –; doi:10.1021/om049594v

data_4062735
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om049594v
_journal_year                    2004
_chemical_formula_sum            'C64 H120 Mg2 N7 O9 P'
_chemical_formula_weight         1211.26
_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                   16.906(3)
_cell_length_b                   19.819(3)
_cell_length_c                   21.176(3)
_cell_measurement_temperature    100(2)
_cell_volume                     7095.0(18)
_diffrn_ambient_temperature      100(2)
_exptl_crystal_density_diffrn    1.134
_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               4062735
; Organometallics  (2004) –; doi:10.1021/om049600n

data_4062736
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om049600n
_journal_year                    2004
_chemical_formula_sum            'C51.5 H35 B F15 Ni O2 P'
_chemical_formula_weight         1071.29
_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                 104.42(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   16.457(15)
_cell_length_b                   12.489(12)
_cell_length_c                   23.967(23)
_cell_measurement_temperature    293(2)
_cell_volume                     4770.7(78)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.492
_refine_ls_R_factor_obs          0.0752
_refine_ls_wR_factor_obs         0.1578
_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        'C51.50 H35 B F15 Ni O2 P'
_cod_database_code               4062736
Masaaki Okazaki; Organometallics  (2004) –; doi:10.1021/om049606c

data_4062737
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om049606c
_journal_year                    2004
_chemical_formula_moiety         'C28 H32 Fe4 '
_chemical_formula_sum            'C28 H32 Fe4'
_chemical_formula_weight         591.95
_space_group_IT_number           61
_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
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   17.588(6)
_cell_length_b                   17.659(8)
_cell_length_c                   15.050(6)
_cell_measurement_temperature    293.2
_cell_volume                     4674(2)
_exptl_crystal_density_diffrn    1.682
_cod_database_code               4062737
Masaaki Okazaki; Organometallics  (2004) –; doi:10.1021/om049606c

data_4062738
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om049606c
_journal_year                    2004
_chemical_formula_sum            'C28 H29 F6 Fe4 O3 P'
_chemical_formula_weight         781.89
_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                 92.44(3)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.855(5)
_cell_length_b                   15.776(6)
_cell_length_c                   17.715(5)
_cell_measurement_temperature    293.2
_cell_volume                     2751(1)
_exptl_crystal_density_diffrn    1.887
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               4062738