LMucko/crystallography-open-database huggingface dataset:
; Journal of the American Chemical Society  (2005) –; doi:

data_4100270
_journal_name_full               'Journal of the American Chemical Society'
_journal_year                    2005
_chemical_formula_sum            'C40 H36 S11'
_chemical_formula_weight         869.35
_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                89.310(3)
_cell_angle_beta                 86.152(3)
_cell_angle_gamma                83.293(3)
_cell_formula_units_Z            4
_cell_length_a                   11.5598(11)
_cell_length_b                   17.1877(19)
_cell_length_c                   19.413(2)
_cell_measurement_temperature    120(2)
_cell_volume                     3822.1(7)
_diffrn_ambient_temperature      120(2)
_exptl_crystal_density_diffrn    1.511
_cod_database_code               4100270
; Journal of the American Chemical Society  (2005) –; doi:

data_4100271
_journal_name_full               'Journal of the American Chemical Society'
_journal_year                    2005
_chemical_formula_sum            'C32 H36 S7'
_chemical_formula_weight         645.03
_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                 94.396(6)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   16.309(4)
_cell_length_b                   8.446(2)
_cell_length_c                   22.011(5)
_cell_measurement_temperature    120(2)
_cell_volume                     3022.9(13)
_diffrn_ambient_temperature      120(2)
_exptl_crystal_density_diffrn    1.417
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               4100271
; Journal of the American Chemical Society  (2005) –; doi:

data_4100272
_journal_name_full               'Journal of the American Chemical Society'
_journal_year                    2005
_chemical_formula_sum            'C17 H28 O2'
_chemical_formula_weight         264.39
_space_group_IT_number           56
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2ab 2ac'
_symmetry_space_group_name_H-M   'P c c n'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   12.236(3)
_cell_length_b                   23.692(6)
_cell_length_c                   10.969(3)
_cell_measurement_temperature    193(2)
_cell_volume                     3179.9(13)
_diffrn_ambient_temperature      193(2)
_exptl_crystal_density_diffrn    1.105
_exptl_crystal_density_meas      0
_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               4100272
; Journal of the American Chemical Society  (2005) –; doi:

data_4100273
_journal_name_full               'Journal of the American Chemical Society'
_journal_year                    2005
_chemical_formula_sum            'C17 H28 O2'
_chemical_formula_weight         264.39
_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                   8.6513(14)
_cell_length_b                   9.3877(15)
_cell_length_c                   19.313(3)
_cell_measurement_temperature    193(2)
_cell_volume                     1568.5(4)
_diffrn_ambient_temperature      193(2)
_exptl_crystal_density_diffrn    1.120
_exptl_crystal_density_meas      0
_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               4100273
; Journal of the American Chemical Society  (2005) –; doi:

data_4100274
_journal_name_full               'Journal of the American Chemical Society'
_journal_year                    2005
_chemical_formula_sum            'C17 H26 O2'
_chemical_formula_weight         262.38
_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                100.447(2)
_cell_angle_beta                 101.757(2)
_cell_angle_gamma                98.479(2)
_cell_formula_units_Z            2
_cell_length_a                   7.6245(9)
_cell_length_b                   9.0143(11)
_cell_length_c                   11.5451(14)
_cell_measurement_temperature    193(2)
_cell_volume                     749.82(16)
_diffrn_ambient_temperature      193(2)
_exptl_crystal_density_diffrn    1.162
_exptl_crystal_density_meas      0
_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               4100274
Direct Chemical Synthesis of Chiral Methanol of 98% ee Isolated as its 3,5-Dinitrobenzoate
Biljana Peric Simov; Frank Wuggenig; Kurt Mereiter; Hendrik Andres; Julien France; Peter Schnelli; Friedrich Hammerschmidt; Journal of the American Chemical Society  (2005) –; doi:

data_4100275
_publ_section_title
;
Direct Chemical Synthesis of Chiral Methanol of 98% ee Isolated as
its 3,5-Dinitrobenzoate
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_year                    2005
_chemical_formula_moiety         'C40 H54 B N O4 Si'
_chemical_formula_sum            'C40 H54 B N O4 Si'
_chemical_formula_weight         651.74
_chemical_name_common            'compound 24'
_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                 90.930(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   6.431(2)
_cell_length_b                   17.308(6)
_cell_length_c                   16.719(6)
_cell_measurement_temperature    223(2)
_cell_volume                     1860.7(11)
_diffrn_ambient_temperature      223(2)
_exptl_crystal_density_diffrn    1.163
_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_Hall     'P 2yb  '
_cod_original_sg_symbol_H-M      'P 21'
_cod_database_code               4100275
Chelate Bis(imino)pyridine Cobalt Complexes: Synthesis, Reduction, and Evidence for the Generation of Ethene Polymerization Catalysts by Li^+^ Cation Activation
Kleigrewe, Nina; Steffen, Winfried; Blömker, Tobias; Kehr, Gerald; Fröhlich, Roland; Wibbeling, Birgit; Erker, Gerhard; Wasilke, Julia-Christina; Wu, Guang; Bazan, Guillermo C.; Journal of the American Chemical Society 127 (2005) 13955–13968; doi:10.1021/ja052129k

data_4100276
_publ_section_title
;
 Chelate Bis(imino)pyridine Cobalt Complexes: Synthesis, Reduction,
 and Evidence for the Generation of Ethene Polymerization Catalysts by
 Li^+^ Cation Activation
;
_journal_coden_ASTM              JACSAT
_journal_issue                   40
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              13955
_journal_page_last               13968
_journal_paper_doi               10.1021/ja052129k
_journal_volume                  127
_journal_year                    2005
_chemical_formula_sum            'C46 H53 Cl2 Co N3 O'
_chemical_formula_weight         793.74
_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                 113.02(1)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   9.439(1)
_cell_length_b                   25.767(1)
_cell_length_c                   9.547(1)
_cell_measurement_temperature    198(2)
_cell_volume                     2137.1(3)
_diffrn_ambient_temperature      198(2)
_exptl_crystal_density_diffrn    1.234
_cod_depositor_comments
;
 Updated bibliographic information.

 Antanas Vaitkus,
 2019-10-02
;
_cod_original_sg_symbol_H-M      P21
_cod_database_code               4100276
Chelate Bis(imino)pyridine Cobalt Complexes: Synthesis, Reduction, and Evidence for the Generation of Ethene Polymerization Catalysts by Li^+^ Cation Activation
Kleigrewe, Nina; Steffen, Winfried; Blömker, Tobias; Kehr, Gerald; Fröhlich, Roland; Wibbeling, Birgit; Erker, Gerhard; Wasilke, Julia-Christina; Wu, Guang; Bazan, Guillermo C.; Journal of the American Chemical Society 127 (2005) 13955–13968; doi:10.1021/ja052129k

data_4100277
_publ_section_title
;
 Chelate Bis(imino)pyridine Cobalt Complexes: Synthesis, Reduction,
 and Evidence for the Generation of Ethene Polymerization Catalysts by
 Li^+^ Cation Activation
;
_journal_coden_ASTM              JACSAT
_journal_issue                   40
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              13955
_journal_page_last               13968
_journal_paper_doi               10.1021/ja052129k
_journal_volume                  127
_journal_year                    2005
_chemical_formula_sum            'C43 H47 Cl Co N3'
_chemical_formula_weight         700.22
_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                 96.96(1)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   9.872(1)
_cell_length_b                   27.669(1)
_cell_length_c                   13.890(1)
_cell_measurement_temperature    198(2)
_cell_volume                     3766.1(5)
_diffrn_ambient_temperature      198(2)
_exptl_crystal_density_diffrn    1.235
_cod_depositor_comments
;
 Updated bibliographic information.

 Antanas Vaitkus,
 2019-10-02
;
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               4100277
Chelate Bis(imino)pyridine Cobalt Complexes: Synthesis, Reduction, and Evidence for the Generation of Ethene Polymerization Catalysts by Li^+^ Cation Activation
Kleigrewe, Nina; Steffen, Winfried; Blömker, Tobias; Kehr, Gerald; Fröhlich, Roland; Wibbeling, Birgit; Erker, Gerhard; Wasilke, Julia-Christina; Wu, Guang; Bazan, Guillermo C.; Journal of the American Chemical Society 127 (2005) 13955–13968; doi:10.1021/ja052129k

data_4100278
_publ_section_title
;
 Chelate Bis(imino)pyridine Cobalt Complexes: Synthesis, Reduction,
 and Evidence for the Generation of Ethene Polymerization Catalysts by
 Li^+^ Cation Activation
;
_journal_coden_ASTM              JACSAT
_journal_issue                   40
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              13955
_journal_page_last               13968
_journal_paper_doi               10.1021/ja052129k
_journal_volume                  127
_journal_year                    2005
_chemical_formula_sum            'C33 H43 Cl Co N3'
_chemical_formula_weight         576.08
_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                 101.20(1)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   8.775(1)
_cell_length_b                   22.971(1)
_cell_length_c                   15.634(1)
_cell_measurement_temperature    198(2)
_cell_volume                     3091.3(4)
_diffrn_ambient_temperature      198(2)
_exptl_crystal_density_diffrn    1.238
_cod_depositor_comments
;
 Updated bibliographic information.

 Antanas Vaitkus,
 2019-10-02
;
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               4100278
Chelate Bis(imino)pyridine Cobalt Complexes: Synthesis, Reduction, and Evidence for the Generation of Ethene Polymerization Catalysts by Li^+^ Cation Activation
Kleigrewe, Nina; Steffen, Winfried; Blömker, Tobias; Kehr, Gerald; Fröhlich, Roland; Wibbeling, Birgit; Erker, Gerhard; Wasilke, Julia-Christina; Wu, Guang; Bazan, Guillermo C.; Journal of the American Chemical Society 127 (2005) 13955–13968; doi:10.1021/ja052129k

data_4100279
_publ_section_title
;
 Chelate Bis(imino)pyridine Cobalt Complexes: Synthesis, Reduction,
 and Evidence for the Generation of Ethene Polymerization Catalysts by
 Li^+^ Cation Activation
;
_journal_coden_ASTM              JACSAT
_journal_issue                   40
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              13955
_journal_page_last               13968
_journal_paper_doi               10.1021/ja052129k
_journal_volume                  127
_journal_year                    2005
_chemical_formula_sum            'C68 H53 B Br Co F20 N4'
_chemical_formula_weight         1455.79
_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                 93.75(1)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   20.027(1)
_cell_length_b                   12.241(1)
_cell_length_c                   25.895(1)
_cell_measurement_temperature    198(2)
_cell_volume                     6334.6(7)
_diffrn_ambient_temperature      198(2)
_exptl_crystal_density_diffrn    1.526
_cod_depositor_comments
;
 Updated bibliographic information.

 Antanas Vaitkus,
 2019-10-02
;
_cod_original_sg_symbol_H-M      P21/c
_cod_database_code               4100279
Chelate Bis(imino)pyridine Cobalt Complexes: Synthesis, Reduction, and Evidence for the Generation of Ethene Polymerization Catalysts by Li^+^ Cation Activation
Kleigrewe, Nina; Steffen, Winfried; Blömker, Tobias; Kehr, Gerald; Fröhlich, Roland; Wibbeling, Birgit; Erker, Gerhard; Wasilke, Julia-Christina; Wu, Guang; Bazan, Guillermo C.; Journal of the American Chemical Society 127 (2005) 13955–13968; doi:10.1021/ja052129k

data_4100280
_publ_section_title
;
 Chelate Bis(imino)pyridine Cobalt Complexes: Synthesis, Reduction,
 and Evidence for the Generation of Ethene Polymerization Catalysts by
 Li^+^ Cation Activation
;
_journal_coden_ASTM              JACSAT
_journal_issue                   40
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              13955
_journal_page_last               13968
_journal_paper_doi               10.1021/ja052129k
_journal_volume                  127
_journal_year                    2005
_chemical_formula_sum            'C43 H47 N3'
_chemical_formula_weight         605.84
_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                 106.03(1)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   19.736(2)
_cell_length_b                   11.967(1)
_cell_length_c                   16.077(2)
_cell_measurement_temperature    223(2)
_cell_volume                     3649.4(7)
_diffrn_ambient_temperature      223(2)
_exptl_crystal_density_diffrn    1.103
_cod_depositor_comments
;
 Updated bibliographic information.

 Antanas Vaitkus,
 2019-10-02
;
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               4100280
Chelate Bis(imino)pyridine Cobalt Complexes: Synthesis, Reduction, and Evidence for the Generation of Ethene Polymerization Catalysts by Li^+^ Cation Activation
Kleigrewe, Nina; Steffen, Winfried; Blömker, Tobias; Kehr, Gerald; Fröhlich, Roland; Wibbeling, Birgit; Erker, Gerhard; Wasilke, Julia-Christina; Wu, Guang; Bazan, Guillermo C.; Journal of the American Chemical Society 127 (2005) 13955–13968; doi:10.1021/ja052129k

data_4100281
_publ_section_title
;
 Chelate Bis(imino)pyridine Cobalt Complexes: Synthesis, Reduction,
 and Evidence for the Generation of Ethene Polymerization Catalysts by
 Li^+^ Cation Activation
;
_journal_coden_ASTM              JACSAT
_journal_issue                   40
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              13955
_journal_page_last               13968
_journal_paper_doi               10.1021/ja052129k
_journal_volume                  127
_journal_year                    2005
_chemical_formula_sum            'C46.5 H51 Cl2 Fe N3'
_chemical_formula_weight         778.65
_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                 98.26(1)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   13.521(1)
_cell_length_b                   16.290(1)
_cell_length_c                   19.298(1)
_cell_measurement_temperature    198(2)
_cell_volume                     4206.4(5)
_diffrn_ambient_temperature      198(2)
_exptl_crystal_density_diffrn    1.230
_cod_depositor_comments
;
 Updated bibliographic information.

 Antanas Vaitkus,
 2019-10-02
;
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_original_formula_sum        'C46.50 H51 Cl2 Fe N3'
_cod_database_code               4100281
Chelate Bis(imino)pyridine Cobalt Complexes: Synthesis, Reduction, and Evidence for the Generation of Ethene Polymerization Catalysts by Li^+^ Cation Activation
Kleigrewe, Nina; Steffen, Winfried; Blömker, Tobias; Kehr, Gerald; Fröhlich, Roland; Wibbeling, Birgit; Erker, Gerhard; Wasilke, Julia-Christina; Wu, Guang; Bazan, Guillermo C.; Journal of the American Chemical Society 127 (2005) 13955–13968; doi:10.1021/ja052129k

data_4100282
_publ_section_title
;
 Chelate Bis(imino)pyridine Cobalt Complexes: Synthesis, Reduction,
 and Evidence for the Generation of Ethene Polymerization Catalysts by
 Li^+^ Cation Activation
;
_journal_coden_ASTM              JACSAT
_journal_issue                   40
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              13955
_journal_page_last               13968
_journal_paper_doi               10.1021/ja052129k
_journal_volume                  127
_journal_year                    2005
_chemical_formula_sum            'C33 H43 N3 O2'
_chemical_formula_weight         513.70
_space_group_IT_number           82
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_Hall  'I -4'
_symmetry_space_group_name_H-M   'I -4'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   27.0925(10)
_cell_length_b                   27.0925
_cell_length_c                   8.2461(3)
_cell_measurement_temperature    117(1)
_cell_volume                     6052.7(3)
_diffrn_ambient_temperature      117(1)
_exptl_crystal_density_diffrn    1.127
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Tetragonal' changed to 'tetragonal'
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-4
_cod_database_code               4100282
Chelate Bis(imino)pyridine Cobalt Complexes: Synthesis, Reduction, and Evidence for the Generation of Ethene Polymerization Catalysts by Li^+^ Cation Activation
Kleigrewe, Nina; Steffen, Winfried; Blömker, Tobias; Kehr, Gerald; Fröhlich, Roland; Wibbeling, Birgit; Erker, Gerhard; Wasilke, Julia-Christina; Wu, Guang; Bazan, Guillermo C.; Journal of the American Chemical Society 127 (2005) 13955–13968; doi:10.1021/ja052129k

data_4100283
_publ_section_title
;
 Chelate Bis(imino)pyridine Cobalt Complexes: Synthesis, Reduction,
 and Evidence for the Generation of Ethene Polymerization Catalysts by
 Li^+^ Cation Activation
;
_journal_coden_ASTM              JACSAT
_journal_issue                   40
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              13955
_journal_page_last               13968
_journal_paper_doi               10.1021/ja052129k
_journal_volume                  127
_journal_year                    2005
_chemical_formula_sum            'C40 H51 Cl2 Fe N3 O2'
_chemical_formula_weight         732.59
_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                   11.5856(5)
_cell_length_b                   18.9039(10)
_cell_length_c                   34.7620(16)
_cell_measurement_temperature    117(1)
_cell_volume                     7613.3(6)
_diffrn_ambient_temperature      117(1)
_exptl_crystal_density_diffrn    1.278
_cod_depositor_comments
;
 Updated bibliographic information.

 Antanas Vaitkus,
 2019-10-02
;
_cod_database_code               4100283