LMucko/crystallography-open-database huggingface dataset:
; New Journal of Chemistry 24 (2000) 787–798; doi:10.1039/b004641h

data_7051346
_journal_issue                   10
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              787
_journal_page_last               798
_journal_paper_doi               10.1039/b004641h
_journal_volume                  24
_journal_year                    2000
_chemical_formula_sum            'C6 H21 I3 N4'
_chemical_formula_weight         529.97
_space_group_IT_number           161
_symmetry_cell_setting           hexagonal
_symmetry_space_group_name_Hall  'R 3 -2"c'
_symmetry_space_group_name_H-M   'R 3 c :H'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                120.00
_cell_formula_units_Z            6
_cell_length_a                   16.501(2)
_cell_length_b                   16.501(2)
_cell_length_c                   9.5919(19)
_cell_measurement_temperature    100(2)
_cell_volume                     2261.8(6)
_diffrn_ambient_temperature      100(2)
_exptl_crystal_density_diffrn    2.335
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Hexagonal' changed to 'hexagonal'
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      'R 3c'
_cod_database_code               7051346
; New Journal of Chemistry 24 (2000) 787–798; doi:10.1039/b004641h

data_7051347
_journal_issue                   10
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              787
_journal_page_last               798
_journal_paper_doi               10.1039/b004641h
_journal_volume                  24
_journal_year                    2000
_chemical_formula_sum            'C12 H46 Br8 N8 O2'
_chemical_formula_weight         973.85
_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                 105.92(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   14.889(3)
_cell_length_b                   10.685(2)
_cell_length_c                   20.754(4)
_cell_measurement_temperature    100(2)
_cell_volume                     3175.2(11)
_diffrn_ambient_temperature      100(2)
_exptl_crystal_density_diffrn    2.037
_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               7051347
Preparation of hydrosulfido- and hydroselenido-bridged diruthenium complexes with π-arene co-ligands and their conversion into new cubane-type sulfido or selenido clusters
Seino, Hidetake; Mizobe, Yasushi; Hidai, Masanobu; New Journal of Chemistry 24 (2000) 907–911; doi:10.1039/b005454m

data_7051362
_publ_section_title
;
 Preparation of hydrosulfido- and hydroselenido-bridged diruthenium complexes
 with \p-arene co-ligands and their conversion into new cubane-type sulfido
 or selenido clusters
;
_journal_coden_ASTM              NJCHE5
_journal_issue                   11
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              907
_journal_page_last               911
_journal_paper_doi               10.1039/b005454m
_journal_volume                  24
_journal_year                    2000
_chemical_formula_moiety         'C20 H30 Cl2 S2 Ru2 '
_chemical_formula_sum            'C20 H30 Cl2 Ru2 S2'
_chemical_formula_weight         607.62
_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
_cell_angle_beta                 112.779(7)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   9.791(1)
_cell_length_b                   11.806(1)
_cell_length_c                   10.532(1)
_cell_measurement_temperature    296.2
_cell_volume                     1122.4(2)
_diffrn_ambient_temperature      296.2
_exptl_crystal_density_diffrn    1.798
_cod_depositor_comments
;
 Updated bibliographic information.

 Antanas Vaitkus,
 2019-10-01
;
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_original_formula_sum        'C20 H30 Cl2 S2 Ru2 '
_cod_database_code               7051362
Preparation of hydrosulfido- and hydroselenido-bridged diruthenium complexes with π-arene co-ligands and their conversion into new cubane-type sulfido or selenido clusters
Seino, Hidetake; Mizobe, Yasushi; Hidai, Masanobu; New Journal of Chemistry 24 (2000) 907–911; doi:10.1039/b005454m

data_7051363
_publ_section_title
;
 Preparation of hydrosulfido- and hydroselenido-bridged diruthenium complexes
 with \p-arene co-ligands and their conversion into new cubane-type sulfido
 or selenido clusters
;
_journal_coden_ASTM              NJCHE5
_journal_issue                   11
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              907
_journal_page_last               911
_journal_paper_doi               10.1039/b005454m
_journal_volume                  24
_journal_year                    2000
_chemical_formula_moiety         'C20 H30 Cl2 Ru2 Se2'
_chemical_formula_sum            'C20 H30 Cl2 Ru2 Se2'
_chemical_formula_weight         701.42
_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
_cell_angle_beta                 112.183(4)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   9.9109(7)
_cell_length_b                   11.9264(8)
_cell_length_c                   10.5135(5)
_cell_measurement_temperature    296.2
_cell_volume                     1150.7(1)
_diffrn_ambient_temperature      296.2
_exptl_crystal_density_diffrn    2.024
_cod_depositor_comments
;
 Updated bibliographic information.

 Antanas Vaitkus,
 2019-10-01
;
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               7051363
Preparation of hydrosulfido- and hydroselenido-bridged diruthenium complexes with π-arene co-ligands and their conversion into new cubane-type sulfido or selenido clusters
Seino, Hidetake; Mizobe, Yasushi; Hidai, Masanobu; New Journal of Chemistry 24 (2000) 907–911; doi:10.1039/b005454m

data_7051364
_publ_section_title
;
 Preparation of hydrosulfido- and hydroselenido-bridged diruthenium complexes
 with \p-arene co-ligands and their conversion into new cubane-type sulfido
 or selenido clusters
;
_journal_coden_ASTM              NJCHE5
_journal_issue                   11
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              907
_journal_page_last               911
_journal_paper_doi               10.1039/b005454m
_journal_volume                  24
_journal_year                    2000
_chemical_formula_sum            'C47 H64 Ru4 S4'
_chemical_formula_weight         1161.54
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yab'
_symmetry_space_group_name_H-M   'P 1 21/a 1'
_cell_angle_alpha                90
_cell_angle_beta                 118.101(5)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   18.022(1)
_cell_length_b                   16.351(1)
_cell_length_c                   18.111(2)
_cell_measurement_temperature    296.2
_cell_volume                     4708.0(7)
_diffrn_ambient_temperature      296.2
_exptl_crystal_density_diffrn    1.639
_cod_depositor_comments
;
 Updated bibliographic information.

 Antanas Vaitkus,
 2019-10-01
;
_cod_original_sg_symbol_H-M      'P 21/a'
_cod_original_formula_sum        'C47 H64 S4 Ru4 '
_cod_database_code               7051364
Preparation of hydrosulfido- and hydroselenido-bridged diruthenium complexes with π-arene co-ligands and their conversion into new cubane-type sulfido or selenido clusters
Seino, Hidetake; Mizobe, Yasushi; Hidai, Masanobu; New Journal of Chemistry 24 (2000) 907–911; doi:10.1039/b005454m

data_7051365
_publ_section_title
;
 Preparation of hydrosulfido- and hydroselenido-bridged diruthenium complexes
 with \p-arene co-ligands and their conversion into new cubane-type sulfido
 or selenido clusters
;
_journal_coden_ASTM              NJCHE5
_journal_issue                   11
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              907
_journal_page_last               911
_journal_paper_doi               10.1039/b005454m
_journal_volume                  24
_journal_year                    2000
_chemical_formula_sum            'C47 H64 Ru4 Se4'
_chemical_formula_weight         1349.14
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yab'
_symmetry_space_group_name_H-M   'P 1 21/a 1'
_cell_angle_alpha                90
_cell_angle_beta                 118.661(10)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   18.001(3)
_cell_length_b                   16.653(3)
_cell_length_c                   18.315(3)
_cell_measurement_temperature    296.2
_cell_volume                     4817(1)
_diffrn_ambient_temperature      296.2
_exptl_crystal_density_diffrn    1.860
_cod_depositor_comments
;
 Updated bibliographic information.

 Antanas Vaitkus,
 2019-10-01
;
_cod_original_sg_symbol_H-M      'P 21/a'
_cod_database_code               7051365
New base-free metallocenes of samarium and neodymium, an approach of the stereoelectronic control in organolanthanide chemistry
Visseaux, Marc; Barbier-Baudry, Denise; Blacque, Olivier; Hafid, Abderrafia; Richard, Philippe; Weber, Frank; New Journal of Chemistry 24 (2000) 939–942; doi:10.1039/B006834I

data_7051372
_publ_section_title
;
 New base-free metallocenes of samarium and neodymium, an approach
 of the stereoelectronic control in organolanthanide chemistry
;
_journal_issue                   12
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              939
_journal_page_last               942
_journal_paper_doi               10.1039/B006834I
_journal_volume                  24
_journal_year                    2000
_chemical_formula_moiety         'C34 H58 Sm'
_chemical_formula_sum            'C34 H58 Sm'
_chemical_formula_weight         617.15
_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                 111.932(4)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   33.672(2)
_cell_length_b                   12.3080(11)
_cell_length_c                   16.5000(13)
_cell_measurement_temperature    110(2)
_cell_volume                     6343.3(9)
_diffrn_ambient_temperature      110(2)
_exptl_crystal_density_diffrn    1.292
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               7051372
New base-free metallocenes of samarium and neodymium, an approach of the stereoelectronic control in organolanthanide chemistry
Visseaux, Marc; Barbier-Baudry, Denise; Blacque, Olivier; Hafid, Abderrafia; Richard, Philippe; Weber, Frank; New Journal of Chemistry 24 (2000) 939–942; doi:10.1039/B006834I

data_7051373
_publ_section_title
;
 New base-free metallocenes of samarium and neodymium, an approach
 of the stereoelectronic control in organolanthanide chemistry
;
_journal_issue                   12
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              939
_journal_page_last               942
_journal_paper_doi               10.1039/B006834I
_journal_volume                  24
_journal_year                    2000
_chemical_formula_moiety         'C25 H37 Sm'
_chemical_formula_sum            'C25 H37 Sm'
_chemical_formula_weight         487.90
_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                 112.641(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   8.498(2)
_cell_length_b                   28.893(5)
_cell_length_c                   10.2650(10)
_cell_measurement_temperature    296(2)
_cell_volume                     2326.2(7)
_diffrn_ambient_temperature      296(2)
_exptl_crystal_density_diffrn    1.393
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               7051373
New base-free metallocenes of samarium and neodymium, an approach of the stereoelectronic control in organolanthanide chemistry
Visseaux, Marc; Barbier-Baudry, Denise; Blacque, Olivier; Hafid, Abderrafia; Richard, Philippe; Weber, Frank; New Journal of Chemistry 24 (2000) 939–942; doi:10.1039/B006834I

data_7051374
_publ_section_title
;
 New base-free metallocenes of samarium and neodymium, an approach
 of the stereoelectronic control in organolanthanide chemistry
;
_journal_issue                   12
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              939
_journal_page_last               942
_journal_paper_doi               10.1039/B006834I
_journal_volume                  24
_journal_year                    2000
_chemical_formula_moiety         'C25 H37 Nd'
_chemical_formula_sum            'C25 H37 Nd'
_chemical_formula_weight         481.79
_chemical_name_common            compound3
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yab'
_symmetry_space_group_name_H-M   'P 1 21/a 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 91.718(12)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   19.021(3)
_cell_length_b                   8.377(3)
_cell_length_c                   29.023(3)
_cell_measurement_temperature    293(2)
_cell_volume                     4622.4(19)
_diffrn_ambient_temperature      296(2)
_exptl_crystal_density_diffrn    1.385
_cod_original_sg_symbol_H-M      'P 21/a'
_cod_database_code               7051374
; New Journal of Chemistry 23 (1999) 17–24; doi:10.1039/a806501b

data_7051381
_journal_issue                   1
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              17
_journal_page_last               24
_journal_paper_doi               10.1039/a806501b
_journal_volume                  23
_journal_year                    1999
_chemical_formula_sum            'C64 H62 Co4 O16'
_chemical_formula_weight         1261.72
_space_group_IT_number           60
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2n 2ab'
_symmetry_space_group_name_H-M   'P b c n'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   28.534(8)
_cell_length_b                   15.244(8)
_cell_length_c                   12.982(8)
_cell_measurement_temperature    213(2)
_cell_volume                     5646.8(48)
_diffrn_ambient_temperature      213(2)
_exptl_crystal_density_diffrn    1.547
_refine_ls_R_factor_obs          0.0844
_refine_ls_wR_factor_obs         0.2333
_cod_database_code               7051381
; New Journal of Chemistry 23 (1999) 17–24; doi:10.1039/a806501b

data_7051382
_journal_issue                   1
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              17
_journal_page_last               24
_journal_paper_doi               10.1039/a806501b
_journal_volume                  23
_journal_year                    1999
_chemical_formula_sum            'C28 H23 Cr O8'
_chemical_formula_weight         539.46
_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                67.77(4)
_cell_angle_beta                 88.13(4)
_cell_angle_gamma                84.30(2)
_cell_formula_units_Z            2
_cell_length_a                   7.952(2)
_cell_length_b                   11.592(3)
_cell_length_c                   13.970(10)
_cell_measurement_temperature    223(2)
_cell_volume                     1186.1(10)
_diffrn_ambient_temperature      223(2)
_exptl_crystal_density_diffrn    1.510
_refine_ls_R_factor_obs          0.0404
_refine_ls_wR_factor_obs         0.0977
_cod_database_code               7051382
; New Journal of Chemistry 23 (1999) 17–24; doi:10.1039/a806501b

data_7051383
_journal_issue                   1
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              17
_journal_page_last               24
_journal_paper_doi               10.1039/a806501b
_journal_volume                  23
_journal_year                    1999
_chemical_formula_sum            'C28 H36 Co2 O10'
_chemical_formula_weight         650.43
_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                99.27(4)
_cell_angle_beta                 100.71(5)
_cell_angle_gamma                90.21(5)
_cell_formula_units_Z            4
_cell_length_a                   8.937(6)
_cell_length_b                   14.084(8)
_cell_length_c                   23.760(10)
_cell_measurement_temperature    223(2)
_cell_volume                     2898(3)
_diffrn_ambient_temperature      223(2)
_exptl_crystal_density_diffrn    1.465
_cod_depositor_comments
;
The following automatic conversions were performed:
'_geom_bond_publ_flag' value 'YES' changed to 'yes' according to
'/home/saulius/struct/CIF-dictionaries/cif_core.dic' dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29 (89 times).

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_database_code               7051383
; New Journal of Chemistry 23 (1999) 17–24; doi:10.1039/a806501b

data_7051384
_journal_issue                   1
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              17
_journal_page_last               24
_journal_paper_doi               10.1039/a806501b
_journal_volume                  23
_journal_year                    1999
_chemical_formula_sum            'C32 H40 Cr2 O10'
_chemical_formula_weight         688.64
_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                 112.69(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   25.066(4)
_cell_length_b                   9.615(3)
_cell_length_c                   13.945(8)
_cell_measurement_temperature    223(2)
_cell_volume                     3101(2)
_diffrn_ambient_temperature      223(2)
_exptl_crystal_density_diffrn    1.475
_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      'C 2/c'
_cod_database_code               7051384
The Molecular Dynamics and cycloaddition chemistry of tris(1-indenyl)allylsilane: Generation of the first crystallographically-characterized tris(benzonorbornyl)silane
Stradiotto, Mark; Brook, Michael A.; McGlinchey, Michael J.; New Journal of Chemistry 23 (1999) 317–321; doi:10.1039/a806739b

data_7051385
_publ_section_title
;
The Molecular Dynamics and cycloaddition chemistry of
tris(1-indenyl)allylsilane:  Generation of the first
crystallographically-characterized tris(benzonorbornyl)silane
;
_journal_issue                   3
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              317
_journal_page_last               321
_journal_paper_doi               10.1039/a806739b
_journal_volume                  23
_journal_year                    1999
_chemical_formula_sum            'C48 H26 N12 Si'
_chemical_formula_weight         798.90
_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                 102.9790(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   13.9562(3)
_cell_length_b                   15.0799(4)
_cell_length_c                   23.1845(2)
_cell_measurement_temperature    300(2)
_cell_volume                     4754.7(2)
_diffrn_ambient_temperature      300(2)
_exptl_crystal_density_diffrn    1.116
_refine_ls_R_factor_obs          0.0777
_refine_ls_wR_factor_obs         0.2053
_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               7051385
; New Journal of Chemistry 23 (1999) 227–235; doi:10.1039/a807066k

data_7051386
_journal_issue                   2
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              227
_journal_page_last               235
_journal_paper_doi               10.1039/a807066k
_journal_volume                  23
_journal_year                    1999
_chemical_formula_sum            'C33 H31 Cl N3 O5 P Pd'
_chemical_formula_weight         722.43
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 95.004(6)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   10.5939(6)
_cell_length_b                   24.5212(15)
_cell_length_c                   12.1504(9)
_cell_measurement_temperature    150(1)
_cell_volume                     3144.3(4)
_diffrn_ambient_temperature      150(2)
_exptl_crystal_density_diffrn    1.526
_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               7051386