LMucko/crystallography-open-database huggingface dataset:
Synthesis of the 13-Vertex Rhodacarborane Anion [4-(1,2:5,6-η-cod)- closo-4,1,6-RhC~2~B~10~H~12~]^-^ and its Reactions with Electrophiles
Hodson, Bruce E.; McGrath, Thomas D.; Stone, F. Gordon A.; Organometallics  (2005) –; doi:10.1021/om049102e

data_4060396
_publ_section_title
;
  Synthesis of the 13-Vertex Rhodacarborane Anion [4-(1,2:5,6-\h-cod)-
  closo-4,1,6-RhC~2~B~10~H~12~]^-^ and its Reactions with Electrophiles
;
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om049102e
_journal_year                    2005
_chemical_formula_sum            'C46 H54 B10 P2 Rh2'
_chemical_formula_weight         982.75
_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                   20.9484(11)
_cell_length_b                   19.8989(10)
_cell_length_c                   21.2596(11)
_cell_measurement_temperature    110(2)
_cell_volume                     8862.1(8)
_diffrn_ambient_temperature      110(2)
_exptl_crystal_density_diffrn    1.473
_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               4060396
Synthesis of the 13-Vertex Rhodacarborane Anion [4-(1,2:5,6-η-cod)- closo-4,1,6-RhC~2~B~10~H~12~]^-^ and its Reactions with Electrophiles
Hodson, Bruce E.; McGrath, Thomas D.; Stone, F. Gordon A.; Organometallics  (2005) –; doi:10.1021/om049102e

data_4060397
_publ_section_title
;
  Synthesis of the 13-Vertex Rhodacarborane Anion [4-(1,2:5,6-\h-cod)-
  closo-4,1,6-RhC~2~B~10~H~12~]^-^ and its Reactions with Electrophiles
;
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om049102e
_journal_year                    2005
_chemical_formula_sum            'C18 H36 B10 Rh2'
_chemical_formula_weight         566.39
_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                 105.456(9)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   7.0539(17)
_cell_length_b                   29.096(7)
_cell_length_c                   11.478(3)
_cell_measurement_temperature    110(2)
_cell_volume                     2270.6(10)
_diffrn_ambient_temperature      110(2)
_exptl_crystal_density_diffrn    1.657
_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               4060397
Synthesis of the 13-Vertex Rhodacarborane Anion [4-(1,2:5,6-η-cod)- closo-4,1,6-RhC~2~B~10~H~12~]^-^ and its Reactions with Electrophiles
Hodson, Bruce E.; McGrath, Thomas D.; Stone, F. Gordon A.; Organometallics  (2005) –; doi:10.1021/om049102e

data_4060398
_publ_section_title
;
  Synthesis of the 13-Vertex Rhodacarborane Anion [4-(1,2:5,6-\h-cod)-
  closo-4,1,6-RhC~2~B~10~H~12~]^-^ and its Reactions with Electrophiles
;
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om049102e
_journal_year                    2005
_chemical_formula_sum            'C56 H74 B10 Cl O2.5 P2 Rh Ru'
_chemical_formula_weight         1196.62
_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                98.632(11)
_cell_angle_beta                 102.624(11)
_cell_angle_gamma                109.847(10)
_cell_formula_units_Z            2
_cell_length_a                   10.485(2)
_cell_length_b                   13.808(3)
_cell_length_c                   21.618(5)
_cell_measurement_temperature    110(2)
_cell_volume                     2785.6(11)
_diffrn_ambient_temperature      110(2)
_exptl_crystal_density_diffrn    1.427
_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_original_formula_sum        'C56 H74 B10 Cl O2.50 P2 Rh Ru'
_cod_database_code               4060398
Synthesis of the 13-Vertex Rhodacarborane Anion [4-(1,2:5,6-η-cod)- closo-4,1,6-RhC~2~B~10~H~12~]^-^ and its Reactions with Electrophiles
Hodson, Bruce E.; McGrath, Thomas D.; Stone, F. Gordon A.; Organometallics  (2005) –; doi:10.1021/om049102e

data_4060399
_publ_section_title
;
  Synthesis of the 13-Vertex Rhodacarborane Anion [4-(1,2:5,6-\h-cod)-
  closo-4,1,6-RhC~2~B~10~H~12~]^-^ and its Reactions with Electrophiles
;
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om049102e
_journal_year                    2005
_chemical_formula_sum            'C10 H25 B10 Rh'
_chemical_formula_weight         356.31
_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                 105.326(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   11.5693(7)
_cell_length_b                   9.3582(6)
_cell_length_c                   15.3295(10)
_cell_measurement_temperature    110(2)
_cell_volume                     1600.67(18)
_diffrn_ambient_temperature      110(2)
_exptl_crystal_density_diffrn    1.479
_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               4060399
Synthesis of the 13-Vertex Rhodacarborane Anion [4-(1,2:5,6-η-cod)- closo-4,1,6-RhC~2~B~10~H~12~]^-^ and its Reactions with Electrophiles
Hodson, Bruce E.; McGrath, Thomas D.; Stone, F. Gordon A.; Organometallics  (2005) –; doi:10.1021/om049102e

data_4060400
_publ_section_title
;
  Synthesis of the 13-Vertex Rhodacarborane Anion [4-(1,2:5,6-\h-cod)-
  closo-4,1,6-RhC~2~B~10~H~12~]^-^ and its Reactions with Electrophiles
;
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om049102e
_journal_year                    2005
_chemical_formula_sum            'C14 H31 B10 O Rh'
_chemical_formula_weight         426.40
_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                 105.767(8)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   13.443(3)
_cell_length_b                   7.9226(18)
_cell_length_c                   18.780(4)
_cell_measurement_temperature    110(2)
_cell_volume                     1925.0(7)
_diffrn_ambient_temperature      110(2)
_exptl_crystal_density_diffrn    1.471
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               4060400
; Organometallics  (2005) –; doi:10.1021/om049105r

data_4060401
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om049105r
_journal_year                    2005
_chemical_formula_sum            'C48 H51 N O Zr'
_chemical_formula_weight         749.16
_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                98.244(2)
_cell_angle_beta                 104.656(2)
_cell_angle_gamma                93.355(1)
_cell_formula_units_Z            2
_cell_length_a                   10.504(1)
_cell_length_b                   10.981(1)
_cell_length_c                   16.801(2)
_cell_measurement_temperature    118.2
_cell_volume                     1846.4(3)
_exptl_crystal_density_diffrn    1.347
_cod_original_formula_sum        'C48 H51 N O Zr '
_cod_database_code               4060401
; Organometallics  (2005) –; doi:10.1021/om049105r

data_4060402
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om049105r
_journal_year                    2005
_chemical_formula_moiety         'C21 H29 N O Zr'
_chemical_formula_sum            'C21 H29 N O Zr'
_chemical_formula_weight         402.69
_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
_cell_angle_beta                 104.344(1)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.9810(7)
_cell_length_b                   17.469(2)
_cell_length_c                   14.626(1)
_cell_measurement_temperature    123.2
_cell_volume                     1975.6(3)
_exptl_crystal_density_diffrn    1.354
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               4060402
; Organometallics  (2005) –; doi:10.1021/om049105r

data_4060403
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om049105r
_journal_year                    2005
_chemical_formula_moiety         'C24 H27 N O Zr'
_chemical_formula_sum            'C24 H27 N O Zr'
_chemical_formula_weight         436.69
_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                81.834(7)
_cell_angle_beta                 65.711(6)
_cell_angle_gamma                86.004(7)
_cell_formula_units_Z            4
_cell_length_a                   12.459(4)
_cell_length_b                   12.600(4)
_cell_length_c                   13.982(5)
_cell_measurement_temperature    173(2)
_cell_volume                     1980.2(11)
_diffrn_ambient_temperature      173(2)
_exptl_crystal_density_diffrn    1.465
_cod_database_code               4060403
; Organometallics  (2005) –; doi:10.1021/om049105r

data_4060404
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om049105r
_journal_year                    2005
_chemical_formula_moiety         'C21 H29 N O Zr'
_chemical_formula_sum            'C21 H29 N O Zr'
_chemical_formula_weight         402.69
_space_group_IT_number           9
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  'C -2yc'
_symmetry_space_group_name_H-M   'C 1 c 1'
_cell_angle_alpha                90
_cell_angle_beta                 108.288(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.880(1)
_cell_length_b                   24.145(3)
_cell_length_c                   8.214(1)
_cell_measurement_temperature    143.2
_cell_volume                     1860.6(4)
_exptl_crystal_density_diffrn    1.437
_refine_ls_weighting_details     'w = 1/[\s^2^(Fo) + 0.00022|Fo|^2^]'
_refine_ls_weighting_scheme      calc
_cod_original_sg_symbol_H-M      'C c'
_cod_database_code               4060404
; Organometallics  (2005) –; doi:10.1021/om049105r

data_4060405
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om049105r
_journal_year                    2005
_chemical_formula_sum            'C34 H39 N2 O2 S Zr'
_chemical_formula_weight         630.97
_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
_cell_angle_beta                 101.345(1)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   14.642(1)
_cell_length_b                   12.797(1)
_cell_length_c                   15.890(1)
_cell_measurement_temperature    153.2
_cell_volume                     2919.3(4)
_exptl_crystal_density_diffrn    1.436
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               4060405
; Organometallics  (2005) –; doi:10.1021/om049105r

data_4060406
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om049105r
_journal_year                    2005
_chemical_formula_moiety         'C36 H41 N O Zr'
_chemical_formula_sum            'C36 H41 N O Zr'
_chemical_formula_weight         594.92
_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                 108.85(4)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   8.599(13)
_cell_length_b                   40.63(4)
_cell_length_c                   8.717(14)
_cell_measurement_temperature    173(2)
_cell_volume                     2882(7)
_diffrn_ambient_temperature      173(2)
_exptl_crystal_density_diffrn    1.371
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               4060406
; Organometallics  (2005) –; doi:10.1021/om0491084

data_4060407
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om0491084
_journal_year                    2005
_chemical_formula_moiety         'C36 H32 F10 N2 O2 Sn'
_chemical_formula_sum            'C36 H32 F10 N2 O2 Sn'
_chemical_formula_weight         833.33
_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                 97.49(4)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   8.757(5)
_cell_length_b                   25.021(3)
_cell_length_c                   16.603(5)
_cell_measurement_temperature    293(2)
_cell_volume                     3607(2)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.535
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               4060407
; Organometallics  (2005) –; doi:10.1021/om0491084

data_4060408
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om0491084
_journal_year                    2005
_chemical_formula_moiety         'C36 H42 N2 O2 Sn'
_chemical_formula_sum            'C36 H42 N2 O2 Sn'
_chemical_formula_weight         653.41
_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                 94.183(4)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   13.265(6)
_cell_length_b                   9.651(4)
_cell_length_c                   26.010(10)
_cell_measurement_temperature    293(2)
_cell_volume                     3321(2)
_exptl_crystal_density_diffrn    1.307
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               4060408
; Organometallics  (2005) –; doi:10.1021/om0491084

data_4060409
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om0491084
_journal_year                    2005
_chemical_absolute_configuration unk
_chemical_formula_moiety         'C42 H54 N2 O2 Sn'
_chemical_formula_sum            'C42 H54 N2 O2 Sn'
_chemical_formula_weight         737.56
_space_group_IT_number           19
_space_group_name_Hall           'P 2ac 2ab'
_space_group_name_H-M_alt        'P 21 21 21'
_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                   16.551(6)
_cell_length_b                   18.233(5)
_cell_length_c                   12.590(3)
_cell_measurement_temperature    293(2)
_cell_volume                     3799(2)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.289
_cod_database_code               4060409
; Organometallics  (2005) –; doi:10.1021/om0491084

data_4060410
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om0491084
_journal_year                    2005
_chemical_absolute_configuration unk
_chemical_formula_moiety         'C42 H54 N2 O2 Sn'
_chemical_formula_sum            'C42 H54 N2 O2 Sn'
_chemical_formula_weight         737.56
_space_group_IT_number           19
_space_group_name_Hall           'P 2ac 2ab'
_space_group_name_H-M_alt        'P 21 21 21'
_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                   16.551(6)
_cell_length_b                   18.233(5)
_cell_length_c                   12.590(3)
_cell_measurement_temperature    293(2)
_cell_volume                     3799(2)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.289
_cod_duplicate_entry             4060409
_cod_original_sg_symbol_Hall     'P 2ac 2ab '
_cod_database_code               4060410
; Organometallics  (2005) –; doi:

data_4060411
_journal_name_full               Organometallics
_journal_year                    2005
_chemical_formula_sum            'C23 H18 Br N8 O3 Re'
_chemical_formula_weight         720.56
_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                 104.5000(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   8.1445(4)
_cell_length_b                   20.6300(11)
_cell_length_c                   15.6330(8)
_cell_measurement_temperature    293(2)
_cell_volume                     2543.0(2)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.882
_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               4060411
; Organometallics  (2005) –; doi:

data_4060412
_journal_name_full               Organometallics
_journal_year                    2005
_chemical_formula_moiety
'[Re Br (C O)3 (C20 H18 N8) Pt (C7 H7)2], (C4 H10 O)'
_chemical_formula_sum            'C41 H42 Br N8 O4 Pt Re'
_chemical_formula_weight         1172.03
_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                 112.0780(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   15.5427(7)
_cell_length_b                   15.3800(7)
_cell_length_c                   18.8150(9)
_cell_measurement_temperature    150(2)
_cell_volume                     4167.9(3)
_diffrn_ambient_temperature      150(2)
_exptl_crystal_density_diffrn    1.868
_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               4060412
; Organometallics  (2005) –; doi:

data_4060413
_journal_name_full               Organometallics
_journal_year                    2005
_chemical_formula_sum            'C28 H21 Br2 N9 O6 Re2'
_chemical_formula_weight         1111.76
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                108.914(3)
_cell_angle_beta                 93.987(3)
_cell_angle_gamma                108.683(3)
_cell_formula_units_Z            2
_cell_length_a                   11.3267(18)
_cell_length_b                   13.334(2)
_cell_length_c                   14.442(2)
_cell_measurement_temperature    200(2)
_cell_volume                     1917.8(5)
_diffrn_ambient_temperature      200(2)
_exptl_crystal_density_diffrn    1.925
_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               4060413
; Organometallics  (2005) –; doi:

data_4060414
_journal_name_full               Organometallics
_journal_year                    2005
_chemical_formula_moiety         'C26 H18 Br2 N8 O6 Re2, 3(C3 H6 O)'
_chemical_formula_sum            'C35 H36 Br2 N8 O9 Re2'
_chemical_formula_weight         1244.94
_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                 92.034(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   18.5053(11)
_cell_length_b                   14.6677(9)
_cell_length_c                   15.6163(10)
_cell_measurement_temperature    150(2)
_cell_volume                     4236.1(5)
_diffrn_ambient_temperature      150(2)
_exptl_crystal_density_diffrn    1.952
_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               4060414