LMucko/crystallography-open-database huggingface dataset:
; New Journal of Chemistry 23 (1999) 777–783; doi:10.1039/a902738f

data_7051448
_journal_issue                   7
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              777
_journal_page_last               783
_journal_paper_doi               10.1039/a902738f
_journal_volume                  23
_journal_year                    1999
_chemical_formula_analytical     'C43.25 H39.25 Cl0.75 N2 O P3 Pt S'
_chemical_formula_moiety         'C43 H39 N2 O P3 Pt S.(C H Cl3)0.25'
_chemical_formula_structural     'C43.25 H39.25 Cl0.75 N2 O P3 Pt S'
_chemical_formula_sum            'C43.25 H39.25 Cl0.75 N2 O P3 Pt S'
_chemical_formula_weight         949.66
_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                112.0190(10)
_cell_angle_beta                 99.4310(10)
_cell_angle_gamma                98.6350(10)
_cell_formula_units_Z            2
_cell_length_a                   10.7499(3)
_cell_length_b                   13.9705(4)
_cell_length_c                   16.7686(4)
_cell_measurement_temperature    293(2)
_cell_volume                     2240.61(10)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.408
_refine_ls_R_factor_obs          0.0438
_refine_ls_wR_factor_obs         0.0994
_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               7051448
Some bimetallic half sandwich iron complexes with metal carbene substitution at the cyclopentadienyl ligand : Synthesis, characterization, structure, and cyclic voltammetry
Behrendt, U.; Pfeifer, R.-M..; Wartchow, R.; Butenschön, H.; New Journal of Chemistry 23 (1999) 891–895; doi:10.1039/a902815c

data_7051449
_publ_section_title
;
Some bimetallic half sandwich iron complexes with metal carbene
 substitution at the cyclopentadienyl ligand :
 Synthesis, characterization, structure, and cyclic voltammetry
;
_journal_issue                   8
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              891
_journal_page_last               895
_journal_paper_doi               10.1039/a902815c
_journal_volume                  23
_journal_year                    1999
_chemical_formula_sum            'C16 H12 Cr Fe O8'
_chemical_formula_weight         440.11
_chemical_melting_point          356
_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                 92.26(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   6.8650(10)
_cell_length_b                   10.751(2)
_cell_length_c                   24.700(4)
_cell_measurement_temperature    300(2)
_cell_volume                     1821.6(5)
_diffrn_ambient_temperature      300(2)
_exptl_crystal_density_diffrn    1.605
_cod_depositor_comments
;
The following automatic conversions were performed:

'_chemical_melting_point' value '356 K' was changed to '356' - the
value should be numeric and without a unit designator.

Automatic conversion script
Id: cif_fix_values 1646 2011-03-28 12:23:43Z adriana 
;
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               7051449
Influence of the anion of FeIII salts on the product distribution in the oxidative degradation of a tetrapyridyl ligand
Michael Renz; Catherine Hemmert; Heinz Gornitzka; Bernard Meunier; New Journal of Chemistry 23 (1999) 773–776; doi:10.1039/a902907i

data_7051450
_publ_section_title
;
Influence of the anion of FeIII salts on the product distribution in
the oxidative degradation of a tetrapyridyl ligand
;
_journal_issue                   7
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              773
_journal_page_last               776
_journal_paper_doi               10.1039/a902907i
_journal_volume                  23
_journal_year                    1999
_chemical_formula_sum            'C11 H11 Cl3 Fe N3'
_chemical_formula_weight         347.43
_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                 107.33(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   11.257(2)
_cell_length_b                   8.6710(10)
_cell_length_c                   14.644(2)
_cell_measurement_temperature    183(2)
_cell_volume                     1364.5(3)
_diffrn_ambient_temperature      183(2)
_exptl_crystal_density_diffrn    1.691
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               7051450
Synthesis and structural characterisation of new Ru^II^[12]aneS~4~ complexes with polypyridylic and related ligands
Santos, Teresa M.; Goodfellow, Brian J.; Madureira, João; Pedrosa de Jesus, Júlio; Félix, Vitor; Drew, Michael G. B.; New Journal of Chemistry 23 (1999) 1015–1025; doi:10.1039/a903117k

data_7051451
_publ_section_title
;
 Synthesis and structural characterisation of new Ru^II^[12]aneS~4~ complexes
 with polypyridylic and related ligands
;
_journal_coden_ASTM              NJCHE5
_journal_issue                   10
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              1015
_journal_page_last               1025
_journal_paper_doi               10.1039/a903117k
_journal_volume                  23
_journal_year                    1999
_chemical_formula_sum            'C10 H22 Cl F6 O P Ru S5'
_chemical_formula_weight         600.07
_space_group_IT_number           62
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   9.210(10)
_cell_length_b                   9.779(11)
_cell_length_c                   22.60(2)
_cell_measurement_temperature    293(2)
_cell_volume                     2035(4)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.958
_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               7051451
Synthesis and structural characterisation of new Ru^II^[12]aneS~4~ complexes with polypyridylic and related ligands
Santos, Teresa M.; Goodfellow, Brian J.; Madureira, João; Pedrosa de Jesus, Júlio; Félix, Vitor; Drew, Michael G. B.; New Journal of Chemistry 23 (1999) 1015–1025; doi:10.1039/a903117k

data_7051452
_publ_section_title
;
 Synthesis and structural characterisation of new Ru^II^[12]aneS~4~ complexes
 with polypyridylic and related ligands
;
_journal_coden_ASTM              NJCHE5
_journal_issue                   10
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              1015
_journal_page_last               1025
_journal_paper_doi               10.1039/a903117k
_journal_volume                  23
_journal_year                    1999
_chemical_formula_sum            'C12 H22 F12 N2 P2 Ru S4'
_chemical_formula_weight         713.57
_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                 90.380(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   10.391(11)
_cell_length_b                   20.94(2)
_cell_length_c                   11.488(13)
_cell_measurement_temperature    293(2)
_cell_volume                     2499(5)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.896
_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               7051452
Synthesis and structural characterisation of new Ru^II^[12]aneS~4~ complexes with polypyridylic and related ligands
Santos, Teresa M.; Goodfellow, Brian J.; Madureira, João; Pedrosa de Jesus, Júlio; Félix, Vitor; Drew, Michael G. B.; New Journal of Chemistry 23 (1999) 1015–1025; doi:10.1039/a903117k

data_7051453
_publ_section_title
;
 Synthesis and structural characterisation of new Ru^II^[12]aneS~4~ complexes
 with polypyridylic and related ligands
;
_journal_coden_ASTM              NJCHE5
_journal_issue                   10
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              1015
_journal_page_last               1025
_journal_paper_doi               10.1039/a903117k
_journal_volume                  23
_journal_year                    1999
_chemical_formula_sum            'C10 H19 Cl F6 N P Ru S4'
_chemical_formula_weight         562.99
_space_group_IT_number           8
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  'C -2y'
_symmetry_space_group_name_H-M   'C 1 m 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 96.020(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   12.264(15)
_cell_length_b                   9.189(11)
_cell_length_c                   8.822(10)
_cell_measurement_temperature    293(2)
_cell_volume                     989(2)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.891
_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 m'
_cod_database_code               7051453
Synthesis and structural characterisation of new Ru^II^[12]aneS~4~ complexes with polypyridylic and related ligands
Santos, Teresa M.; Goodfellow, Brian J.; Madureira, João; Pedrosa de Jesus, Júlio; Félix, Vitor; Drew, Michael G. B.; New Journal of Chemistry 23 (1999) 1015–1025; doi:10.1039/a903117k

data_7051454
_publ_section_title
;
 Synthesis and structural characterisation of new Ru^II^[12]aneS~4~ complexes
 with polypyridylic and related ligands
;
_journal_coden_ASTM              NJCHE5
_journal_issue                   10
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              1015
_journal_page_last               1025
_journal_paper_doi               10.1039/a903117k
_journal_volume                  23
_journal_year                    1999
_chemical_formula_sum            'C17 H25 Cl F6 N3 P Ru S4'
_chemical_formula_weight         681.13
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_H-M   'P c 21 b'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   7.655(9)
_cell_length_b                   15.928(17)
_cell_length_c                   21.47(2)
_cell_measurement_temperature    293(2)
_cell_volume                     2618(5)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.728
_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               7051454
Synthesis and structural characterisation of new Ru^II^[12]aneS~4~ complexes with polypyridylic and related ligands
Santos, Teresa M.; Goodfellow, Brian J.; Madureira, João; Pedrosa de Jesus, Júlio; Félix, Vitor; Drew, Michael G. B.; New Journal of Chemistry 23 (1999) 1015–1025; doi:10.1039/a903117k

data_7051455
_publ_section_title
;
 Synthesis and structural characterisation of new Ru^II^[12]aneS~4~ complexes
 with polypyridylic and related ligands
;
_journal_coden_ASTM              NJCHE5
_journal_issue                   10
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              1015
_journal_page_last               1025
_journal_paper_doi               10.1039/a903117k
_journal_volume                  23
_journal_year                    1999
_chemical_formula_sum            'C26 H28 F12 N2 P2 Ru S4'
_chemical_formula_weight         887.75
_space_group_IT_number           61
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2bc 2ac'
_symmetry_space_group_name_H-M   'P c a b'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   19.95(2)
_cell_length_b                   14.860(16)
_cell_length_c                   21.52(2)
_cell_measurement_temperature    293(2)
_cell_volume                     6382(12)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.848
_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               7051455
Synthesis and structural characterisation of new Ru^II^[12]aneS~4~ complexes with polypyridylic and related ligands
Santos, Teresa M.; Goodfellow, Brian J.; Madureira, João; Pedrosa de Jesus, Júlio; Félix, Vitor; Drew, Michael G. B.; New Journal of Chemistry 23 (1999) 1015–1025; doi:10.1039/a903117k

data_7051456
_publ_section_title
;
 Synthesis and structural characterisation of new Ru^II^[12]aneS~4~ complexes
 with polypyridylic and related ligands
;
_journal_coden_ASTM              NJCHE5
_journal_issue                   10
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              1015
_journal_page_last               1025
_journal_paper_doi               10.1039/a903117k
_journal_volume                  23
_journal_year                    1999
_chemical_formula_sum            'C24 H28 F12 N4 O2 P2 Ru S4'
_chemical_formula_weight         923.75
_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                 104.060(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   18.89(2)
_cell_length_b                   11.713(13)
_cell_length_c                   15.908(18)
_cell_measurement_temperature    293(2)
_cell_volume                     3415(7)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.797
_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               7051456
; New Journal of Chemistry 23 (1999) 885–890; doi:10.1039/a903242h

data_7051457
_journal_issue                   8
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              885
_journal_page_last               890
_journal_paper_doi               10.1039/a903242h
_journal_volume                  23
_journal_year                    1999
_chemical_formula_moiety         '(C44 H28 N4 Zn).(H2 O).(C20 H24 O6)'
_chemical_formula_sum            'C64 H54 N4 O7 Zn'
_chemical_formula_weight         1056.48
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                81.9790(10)
_cell_angle_beta                 85.9670(10)
_cell_angle_gamma                88.8730(10)
_cell_formula_units_Z            2
_cell_length_a                   10.2070(10)
_cell_length_b                   14.4500(10)
_cell_length_c                   17.8270(10)
_cell_measurement_temperature    295(2)
_cell_volume                     2597.0(3)
_diffrn_ambient_temperature      295(2)
_exptl_crystal_density_diffrn    1.351
_cod_database_code               7051457
; New Journal of Chemistry 23 (1999) 885–890; doi:10.1039/a903242h

data_7051458
_journal_issue                   8
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              885
_journal_page_last               890
_journal_paper_doi               10.1039/a903242h
_journal_volume                  23
_journal_year                    1999
_chemical_formula_moiety
'(C44 H28 N4 Zn).(H2 O).1/2(C12 H24 O6).(C9 H10 O2)'
_chemical_formula_sum            'C59 H52 N4 O6 Zn'
_chemical_formula_weight         978.42
_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                70.6520(10)
_cell_angle_beta                 82.9990(10)
_cell_angle_gamma                87.5520(10)
_cell_formula_units_Z            2
_cell_length_a                   12.1820(10)
_cell_length_b                   12.4310(10)
_cell_length_c                   17.0770(10)
_cell_measurement_temperature    120
_cell_volume                     2421.8(3)
_diffrn_ambient_temperature      120
_exptl_crystal_density_diffrn    1.342
_cod_database_code               7051458
; New Journal of Chemistry 23 (1999) 885–890; doi:10.1039/a903242h

data_7051459
_journal_issue                   8
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              885
_journal_page_last               890
_journal_paper_doi               10.1039/a903242h
_journal_volume                  23
_journal_year                    1999
_chemical_formula_moiety
'(C48 H27 N4 O8 Zn)-.(C12 H24 O6 Na)+.4(C H4 O)'
_chemical_formula_sum            'C64 H67 N4 Na O18 Zn'
_chemical_formula_weight         1268.58
_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                83.0670(10)
_cell_angle_beta                 80.6480(10)
_cell_angle_gamma                77.5660(10)
_cell_formula_units_Z            1
_cell_length_a                   9.0190(10)
_cell_length_b                   10.7470(10)
_cell_length_c                   16.2060(10)
_cell_measurement_temperature    120
_cell_volume                     1507.6(2)
_diffrn_ambient_temperature      120
_exptl_crystal_density_diffrn    1.397
_cod_database_code               7051459
; New Journal of Chemistry 23 (1999) 885–890; doi:10.1039/a903242h

data_7051460
_journal_issue                   8
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              885
_journal_page_last               890
_journal_paper_doi               10.1039/a903242h
_journal_volume                  23
_journal_year                    1999
_chemical_formula_moiety
'(C48 H27 N4 O8 Zn)-.(C12 H24 O6 K)+.4(C H4 O)'
_chemical_formula_sum            'C64 H67 K N4 O18 Zn'
_chemical_formula_weight         1284.69
_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                100.549(10)
_cell_angle_beta                 90.827(10)
_cell_angle_gamma                100.268(10)
_cell_formula_units_Z            2
_cell_length_a                   12.4480(10)
_cell_length_b                   15.4120(10)
_cell_length_c                   16.3070(10)
_cell_measurement_temperature    120
_cell_volume                     3022.8(4)
_diffrn_ambient_temperature      120
_exptl_crystal_density_diffrn    1.411
_cod_database_code               7051460
First Syntheses of the Pyrroloketopiperazine Marine Natural Products (±)-Longamide, (±)-Longamide B Methyl Ester and and (±)-Hanishin.
Banwell, Martin, G.; Bray, Andrew M.; Willis, Anthony C.; Wong, David J.; New Journal of Chemistry 23 (1999) 687–690; doi:10.1039/a903330k

data_7051461
_publ_section_title
;
First Syntheses of the Pyrroloketopiperazine Marine Natural Products
(+-)-Longamide, (+-)-Longamide B Methyl Ester and and (+-)-Hanishin.
;
_journal_issue                   7
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              687
_journal_page_last               690
_journal_paper_doi               10.1039/a903330k
_journal_volume                  23
_journal_year                    1999
_chemical_formula_moiety         'C10 H10 Br2 N2 O3 '
_chemical_formula_sum            'C10 H10 Br2 N2 O3'
_chemical_formula_weight         366.01
_chemical_name_common
;
(+-)-longamide B methyl ester
;
_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                65.47(2)
_cell_angle_beta                 80.99(1)
_cell_angle_gamma                67.69(1)
_cell_formula_units_Z            2
_cell_length_a                   8.168(1)
_cell_length_b                   9.279(2)
_cell_length_c                   9.875(2)
_cell_measurement_temperature    296.2
_cell_volume                     629.9(2)
_diffrn_ambient_temperature      296.2
_exptl_crystal_density_diffrn    1.930
_cod_original_formula_sum        'C10 H10 Br2 N2 O3 '
_cod_database_code               7051461