LMucko/crystallography-open-database huggingface dataset:
Gunnoe, T. Brent; Pittard, Karl A.; Day, Cynthia; Petersen, Jeffrey L.; Organometallics  (2005) –; doi:10.1021/om0506668

data_4061784
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om0506668
_journal_year                    2005
_chemical_formula_sum            'C16 H17 B N8 O Ru'
_chemical_formula_weight         449.26
_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                 96.0070(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   7.8719(6)
_cell_length_b                   17.5946(14)
_cell_length_c                   13.4970(11)
_cell_measurement_temperature    193(2)
_cell_volume                     1859.1(3)
_diffrn_ambient_temperature      193(2)
_exptl_crystal_density_diffrn    1.605
_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               4061784
Gunnoe, T. Brent; Pittard, Karl A.; Cundari, Thomas R.; Petersen, Jeffrey L.; Day, Cynthia S.; Organometallics  (2005) –; doi:10.1021/om0506668

data_4061785
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om0506668
_journal_year                    2005
_chemical_formula_sum            'C16 H17 B N8 O Ru'
_chemical_formula_weight         449.26
_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                 106.195(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   10.413(2)
_cell_length_b                   12.170(2)
_cell_length_c                   15.495(3)
_cell_measurement_temperature    295(2)
_cell_volume                     1885.7(6)
_diffrn_ambient_temperature      295(2)
_exptl_crystal_density_diffrn    1.582
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               4061785
Modular Assembly of a Chiral Bis(oxazolinyl)carbene: A New Meridionally Coordinating Tridentate Spectator Ligand
Schneider, Nathanaëlle; César, Vincent; Bellemin-Laponnaz, Stéphane; Gade, Lutz H.; Organometallics 24 (2005) 4886–4888; doi:10.1021/om0506769

data_4061786
_publ_section_title
;
 Modular Assembly of a Chiral Bis(oxazolinyl)carbene:
 A New Meridionally Coordinating Tridentate Spectator Ligand
;
_journal_coden_ASTM              ORGND7
_journal_issue                   21
_journal_name_full               Organometallics
_journal_page_first              4886
_journal_page_last               4888
_journal_paper_doi               10.1021/om0506769
_journal_volume                  24
_journal_year                    2005
_chemical_formula_moiety         'C19 H30 Br3 Cl2 N4 O2 Rh'
_chemical_formula_sum            'C19 H30 Br3 Cl2 N4 O2 Rh'
_chemical_formula_weight         760.01
_space_group_IT_number           19
_space_group_name_Hall           'P 2ac 2ab'
_space_group_name_H-M_alt        'P 21 21 21'
_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
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   10.6604(2)
_cell_length_b                   12.9606(2)
_cell_length_c                   19.4184(3)
_cell_measurement_temperature    173
_cell_volume                     2682.95(8)
_diffrn_ambient_temperature      173
_exptl_crystal_density_diffrn    1.88
_cod_depositor_comments
;
 Updated bibliographic information.

 Antanas Vaitkus,
 2019-10-01
;
_cod_original_sg_symbol_Hall     ' P 2ac 2ab'
_cod_database_code               4061786
; Organometallics  (2005) –; doi:10.1021/om0506825

data_4061787
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om0506825
_journal_year                    2005
_chemical_formula_sum            'C74 H79 Cl Os P2'
_chemical_formula_weight         1255.96
_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                93.0920(10)
_cell_angle_beta                 102.2250(10)
_cell_angle_gamma                102.1170(10)
_cell_formula_units_Z            2
_cell_length_a                   11.9851(8)
_cell_length_b                   15.2813(11)
_cell_length_c                   17.9470(13)
_cell_measurement_temperature    100(2)
_cell_volume                     3124.2(4)
_diffrn_ambient_temperature      100(2)
_exptl_crystal_density_diffrn    1.335
_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               4061787
; Organometallics  (2005) –; doi:10.1021/om0506825

data_4061788
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om0506825
_journal_year                    2005
_chemical_formula_sum            'C48.5 H48 Cl2 O4 Os P2'
_chemical_formula_weight         1017.91
_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                75.9820(10)
_cell_angle_beta                 84.6950(10)
_cell_angle_gamma                65.5750(10)
_cell_formula_units_Z            2
_cell_length_a                   11.5041(10)
_cell_length_b                   12.2994(11)
_cell_length_c                   17.1061(15)
_cell_measurement_temperature    100(2)
_cell_volume                     2138.1(3)
_diffrn_ambient_temperature      100(2)
_exptl_crystal_density_diffrn    1.581
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_formula_sum        'C48.50 H48 Cl2 O4 Os P2'
_cod_database_code               4061788
; Organometallics  (2005) –; doi:10.1021/om050683x

data_4061789
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om050683x
_journal_year                    2005
_chemical_formula_sum            'C25 H56 B10 Li4 O5'
_chemical_formula_weight         572.56
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                114.822(2)
_cell_angle_beta                 102.676(3)
_cell_angle_gamma                97.487(2)
_cell_formula_units_Z            2
_cell_length_a                   10.7876(12)
_cell_length_b                   13.0788(14)
_cell_length_c                   14.710(2)
_cell_measurement_temperature    293(2)
_cell_volume                     1778.8(4)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.069
_cod_database_code               4061789
; Organometallics  (2005) –; doi:10.1021/om050683x

data_4061790
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om050683x
_journal_year                    2005
_chemical_formula_sum            'C26 H56 B10 Li4 O5'
_chemical_formula_weight         584.57
_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                71.865(2)
_cell_angle_beta                 67.168(2)
_cell_angle_gamma                84.609(2)
_cell_formula_units_Z            2
_cell_length_a                   12.1948(9)
_cell_length_b                   12.2772(9)
_cell_length_c                   13.9208(10)
_cell_measurement_temperature    293(2)
_cell_volume                     1824.6(2)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.064
_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               4061790
; Organometallics  (2005) –; doi:10.1021/om050683x

data_4061791
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om050683x
_journal_year                    2005
_chemical_formula_sum            'C26 H58 B10 Li4 O5'
_chemical_formula_weight         586.58
_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                115.7980(10)
_cell_angle_beta                 103.9120(10)
_cell_angle_gamma                95.7920(10)
_cell_formula_units_Z            2
_cell_length_a                   10.9519(6)
_cell_length_b                   13.0868(7)
_cell_length_c                   14.9986(8)
_cell_measurement_temperature    293(2)
_cell_volume                     1825.95(17)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.067
_cod_database_code               4061791
; Organometallics  (2005) –; doi:10.1021/om050683x

data_4061792
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om050683x
_journal_year                    2005
_chemical_formula_sum            'C23 H52 B10 Na2 O4'
_chemical_formula_weight         546.73
_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                   16.930(3)
_cell_length_b                   11.470(2)
_cell_length_c                   33.827(7)
_cell_measurement_temperature    293(2)
_cell_volume                     6569(2)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.106
_cod_database_code               4061792
; Organometallics  (2005) –; doi:10.1021/om050683x

data_4061793
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om050683x
_journal_year                    2005
_chemical_formula_sum            'C24 H54 B10 Na2 O4'
_chemical_formula_weight         560.75
_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                 93.09(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   18.991(4)
_cell_length_b                   15.089(3)
_cell_length_c                   12.380(3)
_cell_measurement_temperature    293(2)
_cell_volume                     3542.4(13)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.051
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               4061793
Ruthenium-mediated Insertion of an Unsaturated C4 Unit into the P-N Bond of an Aminophosphine Ligand.
Pavlik, Sonja; Jantscher, Florian; Mereiter, Kurt; Kirchner, Karl; Organometallics 24 (2005) 4899–4901; doi:10.1021/om050688u

data_4061794
_publ_section_title
;
Ruthenium-mediated Insertion of an Unsaturated C4 Unit into the
P-N Bond of an Aminophosphine Ligand.
;
_journal_issue                   21
_journal_name_full               Organometallics
_journal_page_first              4899
_journal_page_last               4901
_journal_paper_doi               10.1021/om050688u
_journal_volume                  24
_journal_year                    2005
_chemical_formula_moiety         'C28 H33 N P Ru, F6 P'
_chemical_formula_sum            'C28 H33 F6 N P2 Ru'
_chemical_formula_weight         660.56
_chemical_name_common
;
[RuCp(eta^3^-(P,C,C)-PPh~2~CHC-(CH~2~)~3~-eta^2^-(C,C)-CCHNEt~2~)]PF~6~
;
_space_group_IT_number           29
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'P 2c -2ac'
_symmetry_space_group_name_H-M   'P c a 21'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   18.0898(9)
_cell_length_b                   10.2167(5)
_cell_length_c                   15.1416(7)
_cell_measurement_temperature    173(2)
_cell_volume                     2798.4(2)
_diffrn_ambient_temperature      173(2)
_exptl_crystal_density_diffrn    1.568
_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               4061794
Ruthenium-mediated Insertion of an Unsaturated C4 Unit into the P-N Bond of an Aminophosphine Ligand.
Pavlik, Sonja; Jantscher, Florian; Mereiter, Kurt; Kirchner, Karl; Organometallics 24 (2005) 4899–4901; doi:10.1021/om050688u

data_4061795
_publ_section_title
;
Ruthenium-mediated Insertion of an Unsaturated C4 Unit into the
P-N Bond of an Aminophosphine Ligand.
;
_journal_issue                   21
_journal_name_full               Organometallics
_journal_page_first              4899
_journal_page_last               4901
_journal_paper_doi               10.1021/om050688u
_journal_volume                  24
_journal_year                    2005
_chemical_formula_moiety         'C29 H35 N P Ru, F6 P'
_chemical_formula_sum            'C29 H35 F6 N P2 Ru'
_chemical_formula_weight         674.59
_chemical_name_common
;
[RuCp(eta^1^-(P)-PPh~2~CH=C-(CH~2~)~4~-eta^3^-(C,C,N)-CCHNEt~2~)]PF~6~
;
_space_group_IT_number           33
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'P 2c -2n'
_symmetry_space_group_name_H-M   'P n a 21'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   20.4910(10)
_cell_length_b                   9.6657(5)
_cell_length_c                   14.5136(7)
_cell_measurement_temperature    173(2)
_cell_volume                     2874.6(2)
_diffrn_ambient_temperature      173(2)
_exptl_crystal_density_diffrn    1.559
_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               4061795
; Organometallics  (2005) –; doi:10.1021/om050700i

data_4061796
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om050700i
_journal_year                    2005
_chemical_formula_sum            'C67.5 H80 Cl2 O2 P4 Rh2'
_chemical_formula_weight         1323.99
_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                 90.904(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   12.404(2)
_cell_length_b                   30.956(4)
_cell_length_c                   16.505(2)
_cell_measurement_temperature    140.2
_cell_volume                     6336(1)
_exptl_crystal_density_diffrn    1.388
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_original_formula_sum        'C67.50 H80 Cl2 O2 P4 Rh2 '
_cod_database_code               4061796
; Organometallics  (2005) –; doi:10.1021/om050700i

data_4061797
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om050700i
_journal_year                    2005
_chemical_formula_moiety         'C34 H64 Cl2 O2 P4 Rh2 '
_chemical_formula_sum            'C34 H64 Cl2 O2 P4 Rh2'
_chemical_formula_weight         905.49
_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                 93.679(1)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   31.419(3)
_cell_length_b                   7.5160(6)
_cell_length_c                   17.707(2)
_cell_measurement_temperature    160.2
_cell_volume                     4172.9(6)
_exptl_crystal_density_diffrn    1.441
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_original_formula_sum        'C34 H64 Cl2 O2 P4 Rh2 '
_cod_database_code               4061797
; Organometallics  (2005) –; doi:10.1021/om050700i

data_4061798
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om050700i
_journal_year                    2005
_chemical_formula_sum            'C41.5 H68 Cl2 N2 O2 P2 Rh2'
_chemical_formula_weight         965.67
_space_group_IT_number           2
_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                105.193(2)
_cell_angle_beta                 95.559(2)
_cell_angle_gamma                111.160(2)
_cell_formula_units_Z            2
_cell_length_a                   12.854(1)
_cell_length_b                   13.311(2)
_cell_length_c                   15.473(2)
_cell_measurement_temperature    129.2
_cell_volume                     2328.1(4)
_exptl_crystal_density_diffrn    1.377
_cod_original_formula_sum        'C41.50 H68 Cl2 N2 O2 P2 Rh2 '
_cod_database_code               4061798
; Organometallics  (2005) –; doi:10.1021/om050705f

data_4061799
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om050705f
_journal_year                    2005
_chemical_formula_sum            'C29 H39 Ir N2'
_chemical_formula_weight         607.82
_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                70.603(2)
_cell_angle_beta                 69.381(2)
_cell_angle_gamma                66.310(2)
_cell_formula_units_Z            2
_cell_length_a                   10.7968(4)
_cell_length_b                   11.7022(5)
_cell_length_c                   12.7810(5)
_cell_measurement_temperature    173(2)
_cell_volume                     1349.37(9)
_diffrn_ambient_temperature      173(2)
_exptl_crystal_density_diffrn    1.496
_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               4061799
; Organometallics  (2005) –; doi:10.1021/om050705f

data_4061800
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om050705f
_journal_year                    2005
_chemical_formula_sum            'C30 H56 Si4 Zr'
_chemical_formula_weight         620.33
_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                84.445(3)
_cell_angle_beta                 81.887(2)
_cell_angle_gamma                72.518(3)
_cell_formula_units_Z            2
_cell_length_a                   10.2537(3)
_cell_length_b                   12.3260(5)
_cell_length_c                   14.6483(7)
_cell_measurement_temperature    173(2)
_cell_volume                     1745.27(12)
_diffrn_ambient_temperature      173(2)
_exptl_crystal_density_diffrn    1.180
_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               4061800
; Organometallics  (2005) –; doi:10.1021/om050705f

data_4061801
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om050705f
_journal_year                    2005
_chemical_formula_sum            'C43 H65 Ir N2'
_chemical_formula_weight         802.17
_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                 91.796(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   11.8294(10)
_cell_length_b                   19.1650(17)
_cell_length_c                   16.9639(15)
_cell_measurement_temperature    173(2)
_cell_volume                     3844.0(6)
_diffrn_ambient_temperature      173(2)
_exptl_crystal_density_diffrn    1.386
_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               4061801