LMucko/crystallography-open-database huggingface dataset:
; Organometallics  (2004) –; doi:10.1021/om049811s

data_4062984
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om049811s
_journal_year                    2004
_chemical_formula_sum            'C22 H13 Mn Mo O5 S2'
_chemical_formula_weight         572.32
_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                100.3630(10)
_cell_angle_beta                 108.1470(10)
_cell_angle_gamma                96.4470(10)
_cell_formula_units_Z            2
_cell_length_a                   9.1489(4)
_cell_length_b                   10.2783(5)
_cell_length_c                   12.1729(6)
_cell_measurement_temperature    293(2)
_cell_volume                     1052.51(9)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.806
_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               4062984
; Organometallics  (2004) –; doi:10.1021/om049811s

data_4062985
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om049811s
_journal_year                    2004
_chemical_formula_sum            'C14 H11 Mn Mo O5 S2'
_chemical_formula_weight         474.23
_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                 97.6020(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   9.5819(6)
_cell_length_b                   11.7131(8)
_cell_length_c                   15.1648(10)
_cell_measurement_temperature    296(2)
_cell_volume                     1687.04(19)
_diffrn_ambient_temperature      296(2)
_exptl_crystal_density_diffrn    1.867
_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               4062985
; Organometallics  (2004) –; doi:10.1021/om049811s

data_4062986
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om049811s
_journal_year                    2004
_chemical_formula_sum            'C16 H13 Cl2 Mn Mo O5 S2'
_chemical_formula_weight         571.16
_space_group_IT_number           12
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 93.845(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   14.3204(10)
_cell_length_b                   10.2443(7)
_cell_length_c                   14.1102(10)
_cell_measurement_temperature    296(2)
_cell_volume                     2065.3(2)
_diffrn_ambient_temperature      296(2)
_exptl_crystal_density_diffrn    1.837
_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/m'
_cod_database_code               4062986
; Organometallics  (2004) –; doi:10.1021/om049811s

data_4062987
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om049811s
_journal_year                    2004
_chemical_formula_sum            'C82 H15 Cl2 Mn Mo O5 S2'
_chemical_formula_weight         1365.84
_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                 90.446(4)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   15.082(3)
_cell_length_b                   13.658(3)
_cell_length_c                   24.254(5)
_cell_measurement_temperature    296(2)
_cell_volume                     4995.8(16)
_diffrn_ambient_temperature      296(2)
_exptl_crystal_density_diffrn    1.816
_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               4062987
; Organometallics  (2004) –; doi:10.1021/om049811s

data_4062988
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om049811s
_journal_year                    2004
_chemical_formula_sum            'C10 H5 Mn Mo O5 S4'
_chemical_formula_weight         484.26
_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            8
_cell_length_a                   14.7275(10)
_cell_length_b                   11.6741(9)
_cell_length_c                   9.1015(7)
_cell_measurement_temperature    296(2)
_cell_volume                     1564.8(2)
_diffrn_ambient_temperature      296(2)
_exptl_crystal_density_diffrn    4.111
_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               4062988
; Organometallics  (2004) –; doi:10.1021/om049813c

data_4062989
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om049813c
_journal_year                    2004
_chemical_formula_sum            'C24 H39 F2 O2 Rh3'
_chemical_formula_weight         706.28
_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                 95.6150(16)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   12.2685(8)
_cell_length_b                   15.9849(10)
_cell_length_c                   12.7070(8)
_cell_measurement_temperature    293(2)
_cell_volume                     2480.0(3)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.892
_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               4062989
; Organometallics  (2004) –; doi:10.1021/om049813c

data_4062990
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om049813c
_journal_year                    2004
_chemical_formula_sum            'C36 H84 F2 P4 Rh2'
_chemical_formula_weight         884.73
_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                 104.708(9)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   13.269(7)
_cell_length_b                   16.220(8)
_cell_length_c                   21.577(11)
_cell_measurement_temperature    173(2)
_cell_volume                     4492(4)
_diffrn_ambient_temperature      173(2)
_exptl_crystal_density_diffrn    1.308
_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'
_cod_database_code               4062990
Nickel(II) Complexes Containing Bidentate Diarylamido Phosphine Ligands
Liang, Lan-Chang; Lee, Wei-Ying; Yin, Chi-Chun; Organometallics 23 (2004) 3538–3547; doi:10.1021/om0498145

data_4062991
_publ_section_title
;
 Nickel(II) Complexes Containing Bidentate Diarylamido Phosphine Ligands
;
_journal_coden_ASTM              ORGND7
_journal_issue                   14
_journal_name_full               Organometallics
_journal_page_first              3538
_journal_page_last               3547
_journal_paper_doi               10.1021/om0498145
_journal_volume                  23
_journal_year                    2004
_chemical_formula_sum            'C60 H64 N2 P2'
_chemical_formula_weight         875.07
_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                 91.6930(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   12.0940(6)
_cell_length_b                   14.2831(7)
_cell_length_c                   28.7245(14)
_cell_measurement_temperature    150(2)
_cell_volume                     4959.7(4)
_diffrn_ambient_temperature      150(2)
_exptl_crystal_density_diffrn    1.172
_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               4062991
Nickel(II) Complexes Containing Bidentate Diarylamido Phosphine Ligands
Liang, Lan-Chang; Lee, Wei-Ying; Yin, Chi-Chun; Organometallics 23 (2004) 3538–3547; doi:10.1021/om0498145

data_4062992
_publ_section_title
;
 Nickel(II) Complexes Containing Bidentate Diarylamido Phosphine Ligands
;
_journal_coden_ASTM              ORGND7
_journal_issue                   14
_journal_name_full               Organometallics
_journal_page_first              3538
_journal_page_last               3547
_journal_paper_doi               10.1021/om0498145
_journal_volume                  23
_journal_year                    2004
_chemical_formula_sum            'C34 H39 Li N O2 P'
_chemical_formula_weight         531.57
_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                 98.969(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   13.818(2)
_cell_length_b                   12.222(2)
_cell_length_c                   17.973(3)
_cell_measurement_temperature    150(2)
_cell_volume                     2998.2(9)
_diffrn_ambient_temperature      150(2)
_exptl_crystal_density_diffrn    1.178
_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               4062992
Nickel(II) Complexes Containing Bidentate Diarylamido Phosphine Ligands
Liang, Lan-Chang; Lee, Wei-Ying; Yin, Chi-Chun; Organometallics 23 (2004) 3538–3547; doi:10.1021/om0498145

data_4062993
_publ_section_title
;
 Nickel(II) Complexes Containing Bidentate Diarylamido Phosphine Ligands
;
_journal_coden_ASTM              ORGND7
_journal_issue                   14
_journal_name_full               Organometallics
_journal_page_first              3538
_journal_page_last               3547
_journal_paper_doi               10.1021/om0498145
_journal_volume                  23
_journal_year                    2004
_chemical_formula_moiety         'C33 H40 Cl1 N1 Ni1 P2'
_chemical_formula_sum            'C33 H40 Cl N Ni P2'
_chemical_formula_weight         606.76
_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                 105.0920(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   10.2880(2)
_cell_length_b                   17.8490(4)
_cell_length_c                   18.1290(5)
_cell_measurement_temperature    293(2)
_cell_volume                     3214.22(13)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.254
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               4062993
Nickel(II) Complexes Containing Bidentate Diarylamido Phosphine Ligands
Liang, Lan-Chang; Lee, Wei-Ying; Yin, Chi-Chun; Organometallics 23 (2004) 3538–3547; doi:10.1021/om0498145

data_4062994
_publ_section_title
;
 Nickel(II) Complexes Containing Bidentate Diarylamido Phosphine Ligands
;
_journal_coden_ASTM              ORGND7
_journal_issue                   14
_journal_name_full               Organometallics
_journal_page_first              3538
_journal_page_last               3547
_journal_paper_doi               10.1021/om0498145
_journal_volume                  23
_journal_year                    2004
_chemical_formula_moiety         'C38 H32 N1 Ni1 P2'
_chemical_formula_sum            'C34 H43 N Ni P2'
_chemical_formula_weight         586.34
_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                 105.8010(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   10.3530(2)
_cell_length_b                   17.7380(4)
_cell_length_c                   18.2700(3)
_cell_measurement_temperature    293(2)
_cell_volume                     3228.35(11)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.206
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               4062994
Nickel(II) Complexes Containing Bidentate Diarylamido Phosphine Ligands
Liang, Lan-Chang; Lee, Wei-Ying; Yin, Chi-Chun; Organometallics 23 (2004) 3538–3547; doi:10.1021/om0498145

data_4062995
_publ_section_title
;
 Nickel(II) Complexes Containing Bidentate Diarylamido Phosphine Ligands
;
_journal_coden_ASTM              ORGND7
_journal_issue                   14
_journal_name_full               Organometallics
_journal_page_first              3538
_journal_page_last               3547
_journal_paper_doi               10.1021/om0498145
_journal_volume                  23
_journal_year                    2004
_chemical_formula_moiety         'C39 H45 N1 Ni1 P2'
_chemical_formula_sum            'C39 H45 N Ni P2'
_chemical_formula_weight         648.41
_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                 105.03(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   10.611(2)
_cell_length_b                   35.051(7)
_cell_length_c                   9.6820(19)
_cell_measurement_temperature    293(2)
_cell_volume                     3477.8(12)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.238
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               4062995
Nickel(II) Complexes Containing Bidentate Diarylamido Phosphine Ligands
Liang, Lan-Chang; Lee, Wei-Ying; Yin, Chi-Chun; Organometallics 23 (2004) 3538–3547; doi:10.1021/om0498145

data_4062996
_publ_section_title
;
 Nickel(II) Complexes Containing Bidentate Diarylamido Phosphine Ligands
;
_journal_coden_ASTM              ORGND7
_journal_issue                   14
_journal_name_full               Organometallics
_journal_page_first              3538
_journal_page_last               3547
_journal_paper_doi               10.1021/om0498145
_journal_volume                  23
_journal_year                    2004
_chemical_formula_moiety         'C36 H22 N1 Ni1 P2'
_chemical_formula_sum            'C37 H37 N Ni P'
_chemical_formula_weight         585.36
_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                82.9480(10)
_cell_angle_beta                 88.1140(10)
_cell_angle_gamma                67.064(2)
_cell_formula_units_Z            2
_cell_length_a                   9.1100(3)
_cell_length_b                   10.8780(3)
_cell_length_c                   16.7810(7)
_cell_measurement_temperature    293(2)
_cell_volume                     1519.71(9)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.279
_cod_database_code               4062996
Nickel(II) Complexes Containing Bidentate Diarylamido Phosphine Ligands
Liang, Lan-Chang; Lee, Wei-Ying; Yin, Chi-Chun; Organometallics 23 (2004) 3538–3547; doi:10.1021/om0498145

data_4062997
_publ_section_title
;
 Nickel(II) Complexes Containing Bidentate Diarylamido Phosphine Ligands
;
_journal_coden_ASTM              ORGND7
_journal_issue                   14
_journal_name_full               Organometallics
_journal_page_first              3538
_journal_page_last               3547
_journal_paper_doi               10.1021/om0498145
_journal_volume                  23
_journal_year                    2004
_chemical_formula_moiety         'C33 H29 N Ni P '
_chemical_formula_sum            'C33 H29 N Ni P'
_chemical_formula_weight         529.286
_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                   9.5852(2)
_cell_length_b                   14.0420(3)
_cell_length_c                   20.0909(5)
_cell_measurement_temperature    298
_cell_volume                     2704.14(11)
_exptl_crystal_density_diffrn    1.300
_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_original_formula_sum        'C33 H29 N Ni P '
_cod_database_code               4062997
; Organometallics  (2004) –; doi:10.1021/om049817h

data_4062998
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om049817h
_journal_year                    2004
_chemical_formula_sum            'C44 H84 N2 Si8 Ti2'
_chemical_formula_weight         961.65
_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                79.605(3)
_cell_angle_beta                 88.967(3)
_cell_angle_gamma                69.211(3)
_cell_formula_units_Z            3
_cell_length_a                   12.1885(15)
_cell_length_b                   12.8472(16)
_cell_length_c                   29.541(4)
_cell_measurement_temperature    125(2)
_cell_volume                     4248.3(9)
_diffrn_ambient_temperature      125(2)
_exptl_crystal_density_diffrn    1.128
_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               4062998
; Organometallics  (2004) –; doi:10.1021/om049817h

data_4062999
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om049817h
_journal_year                    2004
_chemical_formula_sum            'C25 H51 N Si5 Ti'
_chemical_formula_weight         554.02
_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                78.989(13)
_cell_angle_beta                 77.807(13)
_cell_angle_gamma                75.172(12)
_cell_formula_units_Z            2
_cell_length_a                   10.629(5)
_cell_length_b                   11.259(5)
_cell_length_c                   15.092(7)
_cell_measurement_temperature    173(2)
_cell_volume                     1688.5(13)
_diffrn_ambient_temperature      173(2)
_exptl_crystal_density_diffrn    1.090
_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               4062999