LMucko/crystallography-open-database huggingface dataset:
; Chemical Communications  (2006) –; doi:10.1039/b517385j

data_7100752
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/b517385j
_journal_year                    2006
_chemical_formula_sum            'C21 H24 O3'
_chemical_formula_weight         324.40
_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                 97.75(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   27.321(6)
_cell_length_b                   8.7467(17)
_cell_length_c                   15.029(3)
_cell_measurement_temperature    296(2)
_cell_volume                     3558.5(12)
_diffrn_ambient_temperature      296(2)
_exptl_crystal_density_diffrn    1.211
_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               7100752
Easy one-pot syntheses of new dppm-type linkers for immobilizations
F.Piestert; R.Fetouaki; M.Bogza; T.Oeser; J.Blumel; Chemical Communications  (2005) –; doi:10.1039/b413642j

data_7100753
_publ_section_title
;
Easy one-pot syntheses of new dppm-type
linkers for immobilizations
;
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/b413642j
_journal_year                    2005
_chemical_formula_sum            'C29 H32 O P2 Si'
_chemical_formula_weight         486.58
_chemical_name_common            'chelate phophine'
_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                 90.513(5)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   11.282(3)
_cell_length_b                   12.582(3)
_cell_length_c                   18.736(4)
_cell_measurement_temperature    100(2)
_cell_volume                     2659.4(10)
_diffrn_ambient_temperature      100(2)
_exptl_crystal_density_diffrn    1.215
_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               7100753
Easy one-pot syntheses of new dppm-type linkers for immobilizations
F.Piestert; R.Fetouaki; M.Bogza; T.Oeser; J.Blumel; Chemical Communications  (2005) –; doi:10.1039/b413642j

data_7100754
_publ_section_title
;
Easy one-pot syntheses of new dppm-type
linkers for immobilizations
;
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/b413642j
_journal_year                    2005
_chemical_formula_sum            'C41 H41 O P3 Si'
_chemical_formula_weight         670.74
_chemical_name_common            ylide
_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                81.616(2)
_cell_angle_beta                 81.460(2)
_cell_angle_gamma                73.455(2)
_cell_formula_units_Z            4
_cell_length_a                   10.662(1)
_cell_length_b                   11.165(1)
_cell_length_c                   31.824(3)
_cell_measurement_temperature    100(2)
_cell_volume                     3569.7(6)
_diffrn_ambient_temperature      100(2)
_exptl_crystal_density_diffrn    1.248
_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               7100754
Easy one-pot syntheses of new dppm-type linkers for immobilizations
F.Piestert; R.Fetouaki; M.Bogza; T.Oeser; J.Blumel; Chemical Communications  (2005) –; doi:10.1039/b413642j

data_7100755
_publ_section_title
;
Easy one-pot syntheses of new dppm-type
linkers for immobilizations
;
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/b413642j
_journal_year                    2005
_chemical_formula_sum            'C31 H32 Ni O3 P2 Si'
_chemical_formula_weight         601.31
_space_group_IT_number           29
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'P 2c -2ac'
_symmetry_space_group_name_H-M   'P c a 21'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   18.9502(3)
_cell_length_b                   10.9104(2)
_cell_length_c                   14.8819(2)
_cell_measurement_temperature    200(2)
_cell_volume                     3076.90(9)
_diffrn_ambient_temperature      200(2)
_exptl_crystal_density_diffrn    1.298
_cod_database_code               7100755
Tandem Pauson-Khand reaction and Diels-Alder reaction for access to polycycles in a one-pot reaction
Young Keun Chung; Do Han Kim; Chemical Communications  (2005) –; doi:10.1039/b413918f

data_7100756
_publ_section_title
;
Tandem Pauson-Khand reaction and Diels-Alder reaction
for access to polycycles in a one-pot reaction
;
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/b413918f
_journal_year                    2005
_chemical_formula_sum            'C22 H28 O5'
_chemical_formula_weight         372.44
_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                 118.849(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   17.0589(6)
_cell_length_b                   7.3377(3)
_cell_length_c                   17.2860(7)
_cell_measurement_temperature    293(2)
_cell_volume                     1895.21(13)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.305
_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/a'
_cod_database_code               7100756
Tandem Pauson-Khand reaction and Diels-Alder reaction for access to polycycles in a one-pot reaction
Young Keun Chung; Do Han Kim; Chemical Communications  (2005) –; doi:10.1039/b413918f

data_7100757
_publ_section_title
;
Tandem Pauson-Khand reaction and Diels-Alder reaction
for access to polycycles in a one-pot reaction
;
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/b413918f
_journal_year                    2005
_chemical_formula_sum            'C22 H28 O5'
_chemical_formula_weight         372.44
_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                 103.398(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   10.8847(4)
_cell_length_b                   9.8634(5)
_cell_length_c                   18.9142(5)
_cell_measurement_temperature    293(2)
_cell_volume                     1975.37(13)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.252
_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               7100757
Tandem Pauson-Khand reaction and Diels-Alder reaction for access to polycycles in a one-pot reaction
Young Keun Chung; Do Han Kim; Chemical Communications  (2005) –; doi:10.1039/b413918f

data_7100758
_publ_section_title
;
Tandem Pauson-Khand reaction and Diels-Alder reaction
for access to polycycles in a one-pot reaction
;
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/b413918f
_journal_year                    2005
_chemical_formula_sum            'C30 H28 Cl2 O3'
_chemical_formula_weight         507.42
_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                 98.267(5)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   9.4991(6)
_cell_length_b                   15.8252(13)
_cell_length_c                   16.8571(13)
_cell_measurement_temperature    293(2)
_cell_volume                     2507.7(3)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.344
_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               7100758
Tandem Pauson-Khand reaction and Diels-Alder reaction for access to polycycles in a one-pot reaction
Young Keun Chung; Do Han Kim; Chemical Communications  (2005) –; doi:10.1039/b413918f

data_7100759
_publ_section_title
;
Tandem Pauson-Khand reaction and Diels-Alder reaction
for access to polycycles in a one-pot reaction
;
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/b413918f
_journal_year                    2005
_chemical_formula_sum            'C25 H25 O6'
_chemical_formula_weight         421.47
_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                90.00
_cell_angle_beta                 95.494(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   8.6130(6)
_cell_length_b                   23.0367(9)
_cell_length_c                   10.7028(7)
_cell_measurement_temperature    293(2)
_cell_volume                     2113.8(2)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.328
_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 c'
_cod_database_code               7100759
Tandem Pauson-Khand reaction and Diels-Alder reaction for access to polycycles in a one-pot reaction
Young Keun Chung; Do Han Kim; Chemical Communications  (2005) –; doi:10.1039/b413918f

data_7100760
_publ_section_title
;
Tandem Pauson-Khand reaction and Diels-Alder reaction
for access to polycycles in a one-pot reaction
;
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/b413918f
_journal_year                    2005
_chemical_formula_sum            'C20 H21 N O3'
_chemical_formula_weight         323.39
_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                 95.129(14)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   10.470(4)
_cell_length_b                   6.352(2)
_cell_length_c                   24.228(8)
_cell_measurement_temperature    293(2)
_cell_volume                     1604.8(10)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.326
_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               7100760
Unexpected Conversion of a Hexacyanometallate to a Homoleptic Nitrile Complex with Triphenylborane Substituents
Kim Dunbar; Jose-Ramon Galan-Mascaros; Robert A. Heintz; Eric Schelter; Chemical Communications  (2005) –; doi:10.1039/b414262d

data_7100761
_publ_section_title
;
Unexpected Conversion of a Hexacyanometallate to a
Homoleptic Nitrile Complex with Triphenylborane Substituents
;
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/b414262d
_journal_year                    2005
_chemical_formula_moiety
'C114 H90 N6 B6 (C8 H20 N1) 2(C8 N1) 5(C2 H3 N1)'
_chemical_formula_sum            'C148 H122 B6 Cr N14'
_chemical_formula_weight         2213.46
_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                 110.62(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   28.879(6)
_cell_length_b                   17.256(4)
_cell_length_c                   27.838(6)
_cell_measurement_temperature    25(2)
_cell_volume                     12984(5)
_diffrn_ambient_temperature      25(2)
_exptl_crystal_density_diffrn    1.132
_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               7100761
Synthesis and Molecular Structure of Dicarbonylcyclopentadienyl-[1-(pentamethylcyclopentadienyldicarbonyliron) -3,3-bis(trimethylsilyl)-h3-1-arsa-2-phosphaallyl]molybdenum, the First Complex featuring an h3-Arsaphosphaallyl Ligand.
L.Weber; P.Bayer; H.-G.Stammler; B.Neumann; Chemical Communications  (2005) –; doi:10.1039/b414621b

data_7100762
_publ_section_title
;
Synthesis and Molecular Structure of
Dicarbonylcyclopentadienyl-[1-(pentamethylcyclopentadienyldicarbonyliron)
-3,3-bis(trimethylsilyl)-h3-1-arsa-2-phosphaallyl]molybdenum,
the First Complex featuring an h3-Arsaphosphaallyl Ligand.
;
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/b414621b
_journal_year                    2005
_chemical_formula_moiety         'C26 H38 As Fe Mo O4 P Si2'
_chemical_formula_sum            'C26 H38 As Fe Mo O4 P Si2'
_chemical_formula_weight         728.42
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 104.2460(8)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   12.96200(10)
_cell_length_b                   18.3280(2)
_cell_length_c                   13.7430(2)
_cell_measurement_temperature    100(2)
_cell_volume                     3164.49(6)
_diffrn_ambient_temperature      100(2)
_exptl_crystal_density_diffrn    1.529
_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               7100762
Synthesis and Molecular Structure of Dicarbonylcyclopentadienyl-[1-(pentamethylcyclopentadienyldicarbonyliron) -3,3-bis(trimethylsilyl)-h3-1-arsa-2-phosphaallyl]molybdenum, the First Complex featuring an h3-Arsaphosphaallyl Ligand.
L.Weber; P.Bayer; H.-G.Stammler; B.Neumann; Chemical Communications  (2005) –; doi:10.1039/b414621b

data_7100763
_publ_section_title
;
Synthesis and Molecular Structure of
Dicarbonylcyclopentadienyl-[1-(pentamethylcyclopentadienyldicarbonyliron)
-3,3-bis(trimethylsilyl)-h3-1-arsa-2-phosphaallyl]molybdenum,
the First Complex featuring an h3-Arsaphosphaallyl Ligand.
;
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/b414621b
_journal_year                    2005
_chemical_formula_moiety         'C26 H38 As Fe O4 P Si2 W, C7 H14'
_chemical_formula_sum            'C33 H52 As Fe O4 P Si2 W'
_chemical_formula_weight         914.52
_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                100.3140(7)
_cell_angle_beta                 100.0740(7)
_cell_angle_gamma                92.4090(8)
_cell_formula_units_Z            2
_cell_length_a                   9.53800(10)
_cell_length_b                   14.04200(10)
_cell_length_c                   14.3110(2)
_cell_measurement_temperature    100(2)
_cell_volume                     1851.33(3)
_diffrn_ambient_temperature      100(2)
_exptl_crystal_density_diffrn    1.641
_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               7100763
A High Spin Molecular Square Based on Square Pyramidal CoII and Tetrahedral MnII Centers: [{MnIICl2}2{CoII(triphos)(CN)2}2]
Kim Dunbar; Andrew V. Prosvirin; Eric J. Schelter; Chemical Communications  (2005) –; doi:10.1039/b415168b

data_7100764
_publ_section_title
;
A High Spin Molecular Square Based on Square Pyramidal
CoII and Tetrahedral MnII Centers: [{MnIICl2}2{CoII(triphos)(CN)2}2]
;
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/b415168b
_journal_year                    2005
_chemical_formula_sum            'C90 H86 Cl12 Co2 Mn2 N4 P6'
_chemical_formula_weight         2062.59
_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                 90.129(4)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   14.079(3)
_cell_length_b                   16.444(4)
_cell_length_c                   19.995(5)
_cell_measurement_temperature    110(2)
_cell_volume                     4629(3)
_diffrn_ambient_temperature      110(2)
_exptl_crystal_density_diffrn    1.480
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               7100764
Heterogeneous Assembly of Silver(I) and Calcium(II) Ions Accompanying a Dimer Formation of cyclo(L-Ala-L-Met)3
Mitsuhiko Shionoya; Tomoko Okada; Motoo Shiro; K. Tanaka; Chemical Communications  (2005) –; doi:10.1039/b415567j

data_7100765
_publ_section_title
;
Heterogeneous Assembly of Silver(I) and Calcium(II)
Ions Accompanying a Dimer Formation of cyclo(L-Ala-L-Met)3
;
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/b415567j
_journal_year                    2005
_chemical_absolute_configuration rmad
_chemical_formula_moiety
'C96 H168 Ag6 Ca3 N24 O24 S12, 14(C F3 O3 S), 7(H2 O) Ca'
_chemical_formula_sum            'C110 H182 Ag6 Ca4 F42 N24 O73 S26'
_chemical_formula_weight         5447.79
_space_group_IT_number           198
_space_group_name_Hall           'P 2ac 2ab 3'
_space_group_name_H-M_alt        'P 21 3'
_symmetry_cell_setting           cubic
_symmetry_Int_Tables_number      198
_symmetry_space_group_name_Hall  'P 2ac 2ab 3'
_symmetry_space_group_name_H-M   'P 21 3'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   29.86(2)
_cell_length_b                   29.86(2)
_cell_length_c                   29.86(2)
_cell_measurement_temperature    93
_cell_volume                     26615(32)
_exptl_crystal_density_diffrn    1.359
_cod_original_formula_sum        'C110 H182 Ag6 Ca4 F42 N24 O73 S26 '
_cod_database_code               7100765
Preparation and crystallographic characterization of C60Cl24
Sergey Troyanov; Erhard Kemnitz; Alex A. Popov; Natalia B. Shustova; L. N. Sidorov; Andrew P. Turnbull; Chemical Communications  (2005) –; doi:10.1039/b416341a

data_7100766
_publ_section_title
;
Preparation and crystallographic characterization of C60Cl24
;
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/b416341a
_journal_year                    2005
_chemical_formula_moiety         'C60Cl24 2Br2'
_chemical_formula_sum            'C60 Br4 Cl24'
_chemical_formula_weight         1891.04
_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                60.433(4)
_cell_angle_beta                 62.908(5)
_cell_angle_gamma                84.406(5)
_cell_formula_units_Z            1
_cell_length_a                   12.2000(10)
_cell_length_b                   12.4840(10)
_cell_length_c                   12.5910(10)
_cell_measurement_temperature    100(2)
_cell_volume                     1464.8(2)
_diffrn_ambient_temperature      100(2)
_exptl_crystal_density_diffrn    2.144
_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               7100766