LMucko/crystallography-open-database huggingface dataset:
Imine Insertion into a Late Metal–Carbon Bond To Form a Stable Amido Complex
Krug, Christopher; Hartwig, John F.; Journal of the American Chemical Society 126 (2004) 2694–2695; doi:10.1021/ja038819a

data_4062792
_publ_contact_author
;
      Dr. John F. Hartwig
      Department of Chemistry
      Yale University
      225 Prospect St
      PO Box 208107
      New Haven, CT 06520-8107
      USA
;
_publ_contact_author_email       john.hartwig@yale.edu
_publ_contact_author_fax         '+203 432 6144'
_publ_contact_author_phone       '+203 432 3917'
_publ_section_title
;
 Imine Insertion into a Late Metal--Carbon Bond To Form a Stable Amido Complex
;
_journal_coden_ASTM              JACSAT
_journal_issue                   9
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              2694
_journal_page_last               2695
_journal_paper_doi               10.1021/ja038819a
_journal_volume                  126
_journal_year                    2004
_chemical_formula_sum            'C38 H36 N P2 Rh'
_chemical_formula_weight         671.53
_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                84.261(3)
_cell_angle_beta                 84.977(3)
_cell_angle_gamma                80.620(3)
_cell_formula_units_Z            2
_cell_length_a                   11.1280(18)
_cell_length_b                   11.1646(18)
_cell_length_c                   13.098(2)
_cell_measurement_temperature    150(2)
_cell_volume                     1593.3(4)
_diffrn_ambient_temperature      150(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 

 Updated bibliographic information.

 Antanas Vaitkus,
 2019-10-02
;
_cod_database_code               4062792
Imine Insertion into a Late Metal‒Carbon Bond To Form a Stable Amido Complex
Krug, Christopher; Hartwig, John F.; Journal of the American Chemical Society 126 (2004) 2694–2695; doi:10.1021/ja038819a

data_4062793
_publ_contact_author
;
      Dr. John F. Hartwig
      Department of Chemistry
      Yale University
      225 Prospect St
      PO Box 208107
      New Haven, CT 06520-8107
      USA
;
_publ_contact_author_email       john.hartwig@yale.edu
_publ_contact_author_fax         '+203 432 6144'
_publ_contact_author_phone       '+203 432 3917'
_publ_section_title
;
 Imine Insertion into a Late Metal--Carbon Bond To Form a Stable Amido Complex
;
_journal_coden_ASTM              JACSAT
_journal_issue                   9
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              2694
_journal_page_last               2695
_journal_paper_doi               10.1021/ja038819a
_journal_volume                  126
_journal_year                    2004
_chemical_formula_sum            'C61 H59 N2 O2 P2 Rh'
_chemical_formula_weight         1016.95
_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                 110.31(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   20.443(4)
_cell_length_b                   13.454(3)
_cell_length_c                   20.069(4)
_cell_measurement_temperature    173(2)
_cell_volume                     5176.4(18)
_diffrn_ambient_temperature      173(2)
_exptl_crystal_density_diffrn    1.305
_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 

 Updated bibliographic information.

 Antanas Vaitkus,
 2019-10-02
;
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               4062793
Reactions of an Arylrhodium Complex with Aldehydes, Imines, Ketones, and Alkynones. New Classes of Insertion Reactions
Krug, Christopher; Hartwig, John F.; Organometallics 23 (2004) 4594–4607; doi:10.1021/om0496582

data_4062794
_publ_section_title
;
 Reactions of an Arylrhodium Complex with Aldehydes, Imines, Ketones,
 and Alkynones. New Classes of Insertion Reactions
;
_journal_coden_ASTM              ORGND7
_journal_issue                   20
_journal_name_full               Organometallics
_journal_page_first              4594
_journal_page_last               4607
_journal_paper_doi               10.1021/om0496582
_journal_volume                  23
_journal_year                    2004
_chemical_formula_sum            'C60 H74 N O3.5 P3 Rh'
_chemical_formula_weight         1061.02
_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                 90.85(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   12.122(2)
_cell_length_b                   19.864(4)
_cell_length_c                   22.607(5)
_cell_measurement_temperature    183(2)
_cell_volume                     5443.0(19)
_diffrn_ambient_temperature      183(2)
_exptl_crystal_density_diffrn    1.295
_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 

 Updated bibliographic information.

 Antanas Vaitkus,
 2019-10-02
;
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_original_formula_sum        'C60 H74 N O3.50 P3 Rh'
_cod_database_code               4062794
Imine Insertion into a Late Metal‒Carbon Bond To Form a Stable Amido Complex
Krug, Christopher; Hartwig, John F.; Journal of the American Chemical Society 126 (2004) 2694–2695; doi:10.1021/ja038819a

data_4062795
_publ_contact_author
;
      Dr. John F. Hartwig
      Department of Chemistry
      Yale University
      225 Prospect St
      PO Box 208107
      New Haven, CT 06520-8107
      USA
;
_publ_contact_author_email       john.hartwig@yale.edu
_publ_contact_author_fax         '+203 432 6144'
_publ_contact_author_phone       '+203 432 3917'
_publ_section_title
;
 Imine Insertion into a Late Metal--Carbon Bond To Form a Stable Amido Complex
;
_journal_coden_ASTM              JACSAT
_journal_issue                   9
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              2694
_journal_page_last               2695
_journal_paper_doi               10.1021/ja038819a
_journal_volume                  126
_journal_year                    2004
_chemical_formula_sum            'C48 H44 N O P2 Rh'
_chemical_formula_weight         815.69
_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                 98.62(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   14.720(3)
_cell_length_b                   29.946(6)
_cell_length_c                   18.379(4)
_cell_measurement_temperature    173(2)
_cell_volume                     8010(3)
_diffrn_ambient_temperature      173(2)
_exptl_crystal_density_diffrn    1.353
_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 

 Updated bibliographic information.

 Antanas Vaitkus,
 2019-10-02
;
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               4062795
Reactions of an Arylrhodium Complex with Aldehydes, Imines, Ketones, and Alkynones. New Classes of Insertion Reactions
Krug, Christopher; Hartwig, John F.; Organometallics 23 (2004) 4594–4607; doi:10.1021/om0496582

data_4062796
_publ_section_title
;
 Reactions of an Arylrhodium Complex with Aldehydes, Imines, Ketones,
 and Alkynones. New Classes of Insertion Reactions
;
_journal_coden_ASTM              ORGND7
_journal_issue                   20
_journal_name_full               Organometallics
_journal_page_first              4594
_journal_page_last               4607
_journal_paper_doi               10.1021/om0496582
_journal_volume                  23
_journal_year                    2004
_chemical_formula_sum            'C50 H53 O2 P2 Rh'
_chemical_formula_weight         850.77
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-I 2ya'
_symmetry_space_group_name_H-M   'I 1 2/a 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 97.01(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   20.919(4)
_cell_length_b                   10.106(2)
_cell_length_c                   40.156(8)
_cell_measurement_temperature    173(2)
_cell_volume                     8426(3)
_diffrn_ambient_temperature      173(2)
_exptl_crystal_density_diffrn    1.341
_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 

 Updated bibliographic information.

 Antanas Vaitkus,
 2019-10-02
;
_cod_original_sg_symbol_H-M      'I 2/a'
_cod_database_code               4062796
; Organometallics  (2004) –; doi:10.1021/om049662d

data_4062797
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om049662d
_journal_year                    2004
_chemical_formula_sum            'C44 H36 Cl2 P2 Pd'
_chemical_formula_weight         803.97
_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                 101.182(12)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   13.123(2)
_cell_length_b                   10.3739(18)
_cell_length_c                   27.945(8)
_cell_measurement_temperature    571(2)
_cell_volume                     3732.2(14)
_diffrn_ambient_temperature      571(2)
_exptl_crystal_density_diffrn    1.431
_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               4062797
; Organometallics  (2004) –; doi:10.1021/om049662d

data_4062798
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om049662d
_journal_year                    2004
_chemical_formula_sum            'C44 H36 Cl2 Ni P2'
_chemical_formula_weight         756.28
_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                 101.978(14)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   12.9651(18)
_cell_length_b                   10.3559(15)
_cell_length_c                   28.028(5)
_cell_measurement_temperature    571(2)
_cell_volume                     3681.2(10)
_diffrn_ambient_temperature      571(2)
_exptl_crystal_density_diffrn    1.365
_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               4062798
; Organometallics  (2004) –; doi:10.1021/om049662d

data_4062799
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om049662d
_journal_year                    2004
_chemical_formula_sum            'C146 H96 B2 Cl2 F40 P4 Pd2'
_chemical_formula_weight         3039.43
_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                88.431(12)
_cell_angle_beta                 82.665(15)
_cell_angle_gamma                82.108(17)
_cell_formula_units_Z            1
_cell_length_a                   14.379(3)
_cell_length_b                   15.2099(19)
_cell_length_c                   16.078(2)
_cell_measurement_temperature    293(2)
_cell_volume                     3454.3(10)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.461
_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               4062799
; Organometallics  (2004) –; doi:10.1021/om049664y

data_4062800
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om049664y
_journal_year                    2004
_chemical_formula_sum            'C13 H22 Al2 O3'
_chemical_formula_weight         280.27
_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                 101.88(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   16.795(4)
_cell_length_b                   14.989(4)
_cell_length_c                   13.306(4)
_cell_measurement_temperature    293(2)
_cell_volume                     3277.8(15)
_diffrn_ambient_temperature      293(2)
_diffrn_measurement_specimen_support 'glass capillary'
_exptl_crystal_density_diffrn    1.136
_cod_original_sg_symbol_Hall     -C_2yc
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               4062800
Mechanistic investigations on the hydrogenation of alkenes using ruthenium(II)-arene diphosphine complexes
Daguenet, Corinne; Scopelliti, Rosario; Dyson, Paul J.; Organometallics  (2004) –; doi:10.1021/om049665q

data_4062801
_publ_section_title
;
Mechanistic investigations on the hydrogenation of alkenes using
ruthenium(II)-arene diphosphine complexes
;
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om049665q
_journal_year                    2004
_chemical_formula_moiety         'C35 H36 Cl P2 Ru, B F4'
_chemical_formula_sum            'C35 H36 B Cl F4 P2 Ru'
_chemical_formula_weight         741.91
_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                   11.861(5)
_cell_length_b                   15.411(5)
_cell_length_c                   18.360(3)
_cell_measurement_temperature    293(2)
_cell_volume                     3356.1(18)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.468
_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               4062801
Mechanistic investigations on the hydrogenation of alkenes using ruthenium(II)-arene diphosphine complexes
Daguenet, Corinne; Scopelliti, Rosario; Dyson, Paul J.; Organometallics  (2004) –; doi:10.1021/om049665q

data_4062802
_publ_section_title
;
Mechanistic investigations on the hydrogenation of alkenes using
ruthenium(II)-arene diphosphine complexes
;
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om049665q
_journal_year                    2004
_chemical_formula_moiety         'C36 H38 Cl P2 Ru, B F4'
_chemical_formula_sum            'C36 H38 B Cl F4 P2 Ru'
_chemical_formula_weight         755.93
_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                   12.4176(6)
_cell_length_b                   15.2102(7)
_cell_length_c                   17.3187(10)
_cell_measurement_temperature    140(2)
_cell_volume                     3271.0(3)
_diffrn_ambient_temperature      140(2)
_exptl_crystal_density_diffrn    1.535
_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               4062802
; Organometallics  (2004) –; doi:10.1021/om049667a

data_4062803
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om049667a
_journal_year                    2004
_chemical_formula_sum            'C97 H33.5 O1.25 P2 Pd Ru'
_chemical_formula_weight         1488.15
_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                 99.493(7)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   14.015(4)
_cell_length_b                   24.361(7)
_cell_length_c                   19.962(6)
_cell_measurement_temperature    293(2)
_cell_volume                     6722(4)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.471
_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        'C97 H33.50 O1.25 P2 Pd Ru'
_cod_database_code               4062803
; Organometallics  (2004) –; doi:10.1021/om049667a

data_4062804
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om049667a
_journal_year                    2004
_chemical_formula_sum            'C97 H34.5 O1.75 P2 Pt Ru'
_chemical_formula_weight         1585.85
_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                 99.279(12)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   13.974(9)
_cell_length_b                   24.285(16)
_cell_length_c                   19.922(14)
_cell_measurement_temperature    293(2)
_cell_volume                     6672(8)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.579
_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        'C97 H34.50 O1.75 P2 Pt Ru'
_cod_database_code               4062804
; Organometallics  (2004) –; doi:10.1021/om049667a

data_4062805
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om049667a
_journal_year                    2004
_chemical_formula_sum            'C34 H28 Co F6 O2 P3'
_chemical_formula_weight         734.40
_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                 103.488(6)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   12.134(3)
_cell_length_b                   10.738(3)
_cell_length_c                   24.877(7)
_cell_measurement_temperature    293(2)
_cell_volume                     3151.9(16)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.548
_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               4062805