LMucko/crystallography-open-database huggingface dataset:
Wilson, Scott R.; Prussak-Wieckowska, Teresa; Inorganic Chemistry  (2006) –; doi:10.1021/ic051989z

data_4300726
_journal_name_full               'Inorganic Chemistry'
_journal_paper_doi               10.1021/ic051989z
_journal_year                    2006
_chemical_formula_moiety
'2(C36 H30 N P2), C9 H6 N2 O4 Ru2 S2, C2 H3 N'
_chemical_formula_sum            'C83 H69 N5 O4 P4 Ru2 S2'
_chemical_formula_weight         1590.57
_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                 94.099(9)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   10.175(2)
_cell_length_b                   52.898(12)
_cell_length_c                   13.679(3)
_cell_measurement_temperature    193(2)
_cell_volume                     7344(3)
_diffrn_ambient_temperature      193(2)
_exptl_crystal_density_diffrn    1.439
_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               4300726
Tetrakis-Dimethyltin Containing Tungstophosphate [{Sn(CH~3~)~2~}~4~(H~2~P~4~W~24~O~92~)~2~]^28-^: First Evidence for Lacunary Preyssler Ion
Hussain, Firasat; Kortz, Ulrich; Keita, Bineta; Nadjo, Louis; Inorganic Chemistry  (2006) –; doi:10.1021/ic051990y

data_4300727
_publ_section_title
;
Tetrakis-Dimethyltin Containing Tungstophosphate
[{Sn(CH~3~)~2~}~4~(H~2~P~4~W~24~O~92~)~2~]^28-^:
First Evidence for Lacunary Preyssler Ion
;
_journal_name_full               'Inorganic Chemistry'
_journal_paper_doi               10.1021/ic051990y
_journal_year                    2006
_chemical_formula_sum            'C8 H130 K17 Li11 O235 P8 Sn4 W48'
_chemical_formula_weight         14275.8
_space_group_IT_number           137
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_Hall  '-P 4ac 2a'
_symmetry_space_group_name_H-M   'P 42/n m c :2'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   21.5112(17)
_cell_length_b                   21.5112(17)
_cell_length_c                   27.171(3)
_cell_measurement_temperature    153(2)
_cell_volume                     12573(2)
_diffrn_ambient_temperature      153(2)
_exptl_crystal_density_diffrn    3.716
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Tetragonal' changed to 'tetragonal'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_sg_symbol_H-M      'P 42/nmc'
_cod_database_code               4300727
; Inorganic Chemistry  (2006) –; doi:10.1021/ic052000b

data_4300728
_journal_name_full               'Inorganic Chemistry'
_journal_paper_doi               10.1021/ic052000b
_journal_year                    2006
_chemical_formula_moiety         'C180 H176 N8 P8 Rh4 S8, 4(BF4), 9(CH2Cl2)'
_chemical_formula_sum            'C189 H194 B4 Cl18 F16 N8 P8 Rh4 S8'
_chemical_formula_weight         4478.74
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_cell_angle_alpha                78.0130(10)
_cell_angle_beta                 76.9800(10)
_cell_angle_gamma                81.4300(10)
_cell_formula_units_Z            1
_cell_length_a                   14.1695(10)
_cell_length_b                   16.0351(11)
_cell_length_c                   23.1750(15)
_cell_measurement_temperature    100(2)
_cell_volume                     4989.4(6)
_diffrn_ambient_temperature      100(2)
_exptl_crystal_density_diffrn    1.491
_cod_depositor_comments
;
 Updating space group information.

 Antanas Vaitkus,
 2018-06-10

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               4300728
; Inorganic Chemistry  (2006) –; doi:10.1021/ic052013p

data_4300729
_journal_name_full               'Inorganic Chemistry'
_journal_paper_doi               10.1021/ic052013p
_journal_year                    2006
_chemical_formula_sum            'Cu4 Mo6 Se8'
_chemical_formula_weight         1461.48
_chemical_name_common            'Copper Molybdenum Selenide'
_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                70.739(4)
_cell_angle_beta                 72.669(4)
_cell_angle_gamma                84.555(5)
_cell_formula_units_Z            1
_cell_length_a                   6.7609(8)
_cell_length_b                   6.8122(7)
_cell_length_c                   7.9355(10)
_cell_measurement_temperature    173(2)
_cell_volume                     329.36(7)
_diffrn_ambient_temperature      175(5)
_exptl_crystal_density_diffrn    7.368
_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               4300729
; Inorganic Chemistry  (2006) –; doi:10.1021/ic052032z

data_4300730
_journal_name_full               'Inorganic Chemistry'
_journal_paper_doi               10.1021/ic052032z
_journal_year                    2006
_chemical_formula_moiety         'C22 H36 B1 Li1 N6 O4 S3'
_chemical_formula_sum            'C22 H36 B Li N6 O4 S3'
_chemical_formula_weight         562.52
_chemical_name_common            '[Li(MeOH)4][PhB(mt)]3'
_space_group_IT_number           33
_space_group_name_Hall           'P 2c -2ab'
_space_group_name_H-M_alt        'P b n 21'
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      33
_symmetry_space_group_name_Hall  'P 2c -2ab'
_symmetry_space_group_name_H-M   'P b n 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   13.7303(5)
_cell_length_b                   14.6919(6)
_cell_length_c                   14.7425(4)
_cell_measurement_temperature    173(2)
_cell_volume                     2973.92(18)
_diffrn_ambient_temperature      173(2)
_exptl_crystal_density_diffrn    1.256
_cod_original_formula_sum        'C22 H36 B1 Li1 N6 O4 S3'
_cod_database_code               4300730
; Inorganic Chemistry  (2006) –; doi:10.1021/ic052032z

data_4300731
_journal_name_full               'Inorganic Chemistry'
_journal_paper_doi               10.1021/ic052032z
_journal_year                    2006
_chemical_formula_moiety         'C37 H37 B1 Cl2 Cu1 N6 P1 S3'
_chemical_formula_sum            'C37 H37 B Cl2 Cu N6 P S3'
_chemical_formula_weight         838.13
_chemical_name_common            '[Cu(PhTm)(PPh3)].CH2Cl2'
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_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                82.507(2)
_cell_angle_beta                 70.210(2)
_cell_angle_gamma                74.053(2)
_cell_formula_units_Z            2
_cell_length_a                   11.9520(4)
_cell_length_b                   12.9390(4)
_cell_length_c                   13.5811(5)
_cell_measurement_temperature    123(2)
_cell_volume                     1898.56(11)
_diffrn_ambient_temperature      123(2)
_exptl_crystal_density_diffrn    1.466
_cod_original_sg_symbol_H-M      P-1
_cod_original_formula_sum        'C37 H37 B1 Cl2 Cu1 N6 P1 S3'
_cod_database_code               4300731
; Inorganic Chemistry  (2006) –; doi:10.1021/ic052032z

data_4300732
_journal_name_full               'Inorganic Chemistry'
_journal_paper_doi               10.1021/ic052032z
_journal_year                    2006
_chemical_formula_moiety         'C24 H35 Ag1 B1 N6 P1 S3'
_chemical_formula_sum            'C24 H35 Ag B N6 P S3'
_chemical_formula_weight         638.29
_chemical_name_common            Ag(PhTm)(PEt3)
_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                 109.936(5)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   10.180(5)
_cell_length_b                   29.852(5)
_cell_length_c                   10.498(5)
_cell_measurement_temperature    123(2)
_cell_volume                     2999(2)
_diffrn_ambient_temperature      123(2)
_exptl_crystal_density_diffrn    1.414
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_original_formula_sum        'C24 H35 Ag1 B1 N6 P1 S3'
_cod_database_code               4300732
; Inorganic Chemistry  (2006) –; doi:10.1021/ic052032z

data_4300733
_journal_name_full               'Inorganic Chemistry'
_journal_paper_doi               10.1021/ic052032z
_journal_year                    2006
_chemical_formula_sum            'C24 H35 Au B N6 P S3'
_chemical_formula_weight         742.54
_chemical_name_common            '[Au(PhTm)(PEt3)]'
_space_group_IT_number           33
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'P 2c -2n'
_symmetry_space_group_name_H-M   'P n a 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   13.9270(4)
_cell_length_b                   14.4549(4)
_cell_length_c                   14.5183(3)
_cell_measurement_temperature    123(2)
_cell_volume                     2922.72(13)
_diffrn_ambient_temperature      123(2)
_exptl_crystal_density_diffrn    1.687
_cod_database_code               4300733
; Inorganic Chemistry  (2006) –; doi:10.1021/ic052032z

data_4300734
_journal_name_full               'Inorganic Chemistry'
_journal_paper_doi               10.1021/ic052032z
_journal_year                    2006
_chemical_formula_moiety         'C32 H31 B1 Cu1 N4 P1 S2'
_chemical_formula_sum            'C32 H31 B Cu N4 P S2'
_chemical_formula_weight         641.05
_chemical_name_common            '[Cu(PhBm)(PPh3)]'
_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                 97.3220(10)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   10.4991(3)
_cell_length_b                   17.4448(4)
_cell_length_c                   16.6193(5)
_cell_measurement_temperature    123(2)
_cell_volume                     3019.08(14)
_diffrn_ambient_temperature      123(2)
_exptl_crystal_density_diffrn    1.41
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_original_formula_sum        'C32 H31 B1 Cu1 N4 P1 S2'
_cod_database_code               4300734
; Inorganic Chemistry  (2006) –; doi:10.1021/ic052032z

data_4300735
_journal_name_full               'Inorganic Chemistry'
_journal_paper_doi               10.1021/ic052032z
_journal_year                    2006
_chemical_formula_moiety         'C32 H31 Ag1 B1 N4 P1 S2'
_chemical_formula_sum            'C32 H31 Ag B N4 P S2'
_chemical_formula_weight         685.38
_chemical_name_common            '[Ag(PhBm)(PPh3)]'
_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                 98.5950(10)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   10.6397(3)
_cell_length_b                   17.6269(4)
_cell_length_c                   16.8142(4)
_cell_measurement_temperature    123(2)
_cell_volume                     3118.00(14)
_diffrn_ambient_temperature      123(2)
_exptl_crystal_density_diffrn    1.46
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_original_formula_sum        'C32 H31 Ag1 B1 N4 P1 S2'
_cod_database_code               4300735
; Inorganic Chemistry  (2006) –; doi:10.1021/ic052032z

data_4300736
_journal_name_full               'Inorganic Chemistry'
_journal_paper_doi               10.1021/ic052032z
_journal_year                    2006
_chemical_formula_moiety         'C24 H30 Cl1 Cu6 N12 S6'
_chemical_formula_sum            'C24 H30 Cl Cu6 N12 S6'
_chemical_formula_weight         1095.71
_chemical_name_common            'CuCl2+LiPhTm in MeOH (slow diff)'
_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                90.04
_cell_angle_beta                 93.432(3)
_cell_angle_gamma                90.01
_cell_formula_units_Z            4
_cell_length_a                   10.9667(5)
_cell_length_b                   23.4584(12)
_cell_length_c                   15.5610(7)
_cell_measurement_temperature    123(2)
_cell_volume                     3996.1(3)
_diffrn_ambient_temperature      123(2)
_exptl_crystal_density_diffrn    1.821
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_original_formula_sum        'C24 H30 Cl1 Cu6 N12 S6'
_cod_database_code               4300736
; Inorganic Chemistry  (2006) –; doi:10.1021/ic052032z

data_4300737
_journal_name_full               'Inorganic Chemistry'
_journal_paper_doi               10.1021/ic052032z
_journal_year                    2006
_chemical_formula_moiety         'C19 H24 B1 Cu1 N6 O1 S3'
_chemical_formula_sum            'C19 H24 B Cu N6 O S3'
_chemical_formula_weight         522.97
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_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                61.706(2)
_cell_angle_beta                 79.537(2)
_cell_angle_gamma                85.277(2)
_cell_formula_units_Z            2
_cell_length_a                   10.1299(3)
_cell_length_b                   11.2001(5)
_cell_length_c                   11.4848(5)
_cell_measurement_temperature    123(2)
_cell_volume                     1128.26(8)
_diffrn_ambient_temperature      123(2)
_exptl_crystal_density_diffrn    1.539
_cod_original_formula_sum        'C19 H24 B1 Cu1 N6 O1 S3'
_cod_database_code               4300737
; Inorganic Chemistry  (2006) –; doi:10.1021/ic052065e

data_4300738
_journal_name_full               'Inorganic Chemistry'
_journal_paper_doi               10.1021/ic052065e
_journal_year                    2006
_chemical_formula_moiety         'C54 H56 B F15 N2 O Ti, 0.5(C4 H10 O2)'
_chemical_formula_sum            'C56 H61 B F15 N2 O2 Ti'
_chemical_formula_weight         1137.78
_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                105.689(4)
_cell_angle_beta                 100.502(4)
_cell_angle_gamma                99.263(4)
_cell_formula_units_Z            2
_cell_length_a                   12.7063(18)
_cell_length_b                   13.5595(18)
_cell_length_c                   16.805(2)
_cell_measurement_temperature    119(2)
_cell_volume                     2672.4(6)
_diffrn_ambient_temperature      119(2)
_exptl_crystal_density_diffrn    1.414
_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               4300738
; Inorganic Chemistry  (2006) –; doi:10.1021/ic052065e

data_4300739
_journal_name_full               'Inorganic Chemistry'
_journal_paper_doi               10.1021/ic052065e
_journal_year                    2006
_chemical_formula_sum            'C55 H87 N2 O3 Ti'
_chemical_formula_weight         872.17
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 94.109(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   13.1392(16)
_cell_length_b                   18.319(2)
_cell_length_c                   21.385(3)
_cell_measurement_temperature    125(2)
_cell_volume                     5133.9(11)
_diffrn_ambient_temperature      125(2)
_exptl_crystal_density_diffrn    1.128
_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               4300739
; Inorganic Chemistry  (2006) –; doi:10.1021/ic052065e

data_4300740
_journal_name_full               'Inorganic Chemistry'
_journal_paper_doi               10.1021/ic052065e
_journal_year                    2006
_chemical_formula_moiety         'C61 H63 B F15 N3 Ti'
_chemical_formula_sum            'C61 H63 B F15 N3 Ti'
_chemical_formula_weight         1181.85
_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                89.910(2)
_cell_angle_beta                 83.022(2)
_cell_angle_gamma                66.6590(10)
_cell_formula_units_Z            2
_cell_length_a                   12.0226(7)
_cell_length_b                   13.9555(8)
_cell_length_c                   18.3991(11)
_cell_measurement_temperature    123(2)
_cell_volume                     2809.7(3)
_diffrn_ambient_temperature      123(2)
_exptl_crystal_density_diffrn    1.397
_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               4300740
Synthesis of cationic oxorhenium salen complexes via mu-oxo abstraction and their activity in catalytic reductions.
Elon A. Ison, Jeanette E. Cessarich, Guodong Du,; Phillip E. Fanwick, Mahdi M. Abu-Omar; Inorganic Chemistry  (2006) –; doi:10.1021/ic0520768

data_4300741
_publ_section_title
;
Synthesis of cationic oxorhenium salen complexes via mu-oxo abstraction
and their activity in catalytic reductions.
;
_journal_name_full               'Inorganic Chemistry'
_journal_paper_doi               10.1021/ic0520768
_journal_year                    2006
_chemical_formula_moiety         'C34 H32 N4 O7 Re2,2(C1 H2 Cl2)'
_chemical_formula_sum            'C36 H36 Cl4 N4 O7 Re2'
_chemical_formula_weight         1150.92
_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                91.012(7)
_cell_angle_beta                 91.448(9)
_cell_angle_gamma                98.302(9)
_cell_formula_units_Z            1
_cell_length_a                   9.0008(8)
_cell_length_b                   10.0808(16)
_cell_length_c                   10.6719(17)
_cell_measurement_temperature    150
_cell_volume                     957.6(2)
_diffrn_ambient_temperature      150
_exptl_crystal_density_diffrn    1.996
_cod_database_code               4300741
; Inorganic Chemistry  (2006) –; doi:10.1021/ic0520768

data_4300742
_journal_name_full               'Inorganic Chemistry'
_journal_paper_doi               10.1021/ic0520768
_journal_year                    2006
_chemical_formula_moiety
'C68 H64 N8 O13 Re4,4(C1 H2 Cl2),2(C24 B1 F20)'
_chemical_formula_sum            'C120 H72 B2 Cl8 F40 N8 O13 Re4'
_chemical_formula_weight         3643.94
_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                 92.2845(13)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   16.1182(2)
_cell_length_b                   17.6845(2)
_cell_length_c                   21.2961(3)
_cell_measurement_temperature    150
_cell_volume                     6065.46(13)
_diffrn_ambient_temperature      150
_exptl_crystal_density_diffrn    1.995
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               4300742
; Inorganic Chemistry  (2006) –; doi:10.1021/ic0520768

data_4300743
_journal_name_full               'Inorganic Chemistry'
_journal_paper_doi               10.1021/ic0520768
_journal_year                    2006
_chemical_formula_moiety
'C16 H16 N2 O4 Re1,0.548(C1 H2 Cl2),C24 B1 F20,C2 H3 N1'
_chemical_formula_sum            'C42.55 H20.1 B Cl1.1 F20 N3 O4 Re'
_chemical_formula_weight         1253.16
_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                69.1349(14)
_cell_angle_beta                 74.3555(15)
_cell_angle_gamma                77.3382(15)
_cell_formula_units_Z            2
_cell_length_a                   10.8090(4)
_cell_length_b                   14.9865(6)
_cell_length_c                   15.0986(5)
_cell_measurement_temperature    150
_cell_volume                     2180.04(14)
_diffrn_ambient_temperature      150
_exptl_crystal_density_diffrn    1.909
_cod_original_formula_sum        'C42.55 H20.10 B1 Cl1.10 F20 N3 O4 Re1'
_cod_database_code               4300743