LMucko/crystallography-open-database huggingface dataset:
Synthesis of a Vanadium(III) Tris(arylthiolato) Complex and Its Reactions with Azide and Azo Compounds: Formation of a Sulfenamide Complex via Cleavage of an Azo NN Bond
Komuro, Takashi; Matsuo, Tsukasa; Kawaguchi, Hiroyuki; Tatsumi, Kazuyuki; Inorganic Chemistry 44 (2005) 175–177; doi:10.1021/ic048721c

data_4300939
_publ_section_title
;
 Synthesis of a Vanadium(III) Tris(arylthiolato) Complex and Its Reactions
 with Azide and Azo Compounds: Formation of a Sulfenamide Complex via
 Cleavage of an Azo NN Bond
;
_journal_coden_ASTM              INOCAJ
_journal_issue                   2
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              175
_journal_page_last               177
_journal_paper_doi               10.1021/ic048721c
_journal_volume                  44
_journal_year                    2005
_chemical_formula_moiety         'C30 H57 N2 S2 Si4 V '
_chemical_formula_sum            'C30 H57 N2 S2 Si4 V'
_chemical_formula_weight         673.20
_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                 106.141(6)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.338(4)
_cell_length_b                   19.654(7)
_cell_length_c                   21.400(9)
_cell_measurement_temperature    173.1
_cell_volume                     3772.7(26)
_exptl_crystal_density_diffrn    1.185
_cod_duplicate_entry             4308374
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_original_formula_sum        'C30 H57 N2 S2 Si4 V '
_cod_database_code               4300939
Synthesis of a Vanadium(III) Tris(arylthiolato) Complex and Its Reactions with Azide and Azo Compounds: Formation of a Sulfenamide Complex via Cleavage of an Azo NN Bond
Komuro, Takashi; Matsuo, Tsukasa; Kawaguchi, Hiroyuki; Tatsumi, Kazuyuki; Inorganic Chemistry 44 (2005) 175–177; doi:10.1021/ic048721c

data_4300940
_publ_section_title
;
 Synthesis of a Vanadium(III) Tris(arylthiolato) Complex and Its Reactions
 with Azide and Azo Compounds: Formation of a Sulfenamide Complex via
 Cleavage of an Azo NN Bond
;
_journal_coden_ASTM              INOCAJ
_journal_issue                   2
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              175
_journal_page_last               177
_journal_paper_doi               10.1021/ic048721c
_journal_volume                  44
_journal_year                    2005
_chemical_formula_moiety         'C46 H78 N S3 Si6 V '
_chemical_formula_sum            'C46 H78 N S3 Si6 V'
_chemical_formula_weight         960.76
_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
_cell_angle_beta                 99.814(3)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   12.295(3)
_cell_length_b                   16.438(4)
_cell_length_c                   27.386(7)
_cell_measurement_temperature    173.1
_cell_volume                     5454.0(25)
_exptl_crystal_density_diffrn    1.170
_cod_duplicate_entry             4308375
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_original_formula_sum        'C46 H78 N S3 Si6 V '
_cod_database_code               4300940
Synthesis of a Vanadium(III) Tris(arylthiolato) Complex and Its Reactions with Azide and Azo Compounds: Formation of a Sulfenamide Complex via Cleavage of an Azo NN Bond
Komuro, Takashi; Matsuo, Tsukasa; Kawaguchi, Hiroyuki; Tatsumi, Kazuyuki; Inorganic Chemistry 44 (2005) 175–177; doi:10.1021/ic048721c

data_4300941
_publ_section_title
;
 Synthesis of a Vanadium(III) Tris(arylthiolato) Complex and Its Reactions
 with Azide and Azo Compounds: Formation of a Sulfenamide Complex via
 Cleavage of an Azo NN Bond
;
_journal_coden_ASTM              INOCAJ
_journal_issue                   2
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              175
_journal_page_last               177
_journal_paper_doi               10.1021/ic048721c
_journal_volume                  44
_journal_year                    2005
_chemical_formula_moiety         'C36 H51 N2 S2 Si4 V '
_chemical_formula_sum            'C36 H51 N2 S2 Si4 V'
_chemical_formula_weight         739.22
_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                 111.376(4)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   20.069(5)
_cell_length_b                   9.974(2)
_cell_length_c                   21.713(5)
_cell_measurement_temperature    173.1
_cell_volume                     4047.1(16)
_exptl_crystal_density_diffrn    1.213
_cod_duplicate_entry             4308376
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_original_formula_sum        'C36 H51 N2 S2 Si4 V '
_cod_database_code               4300941
Toward Templated Metal-Organic Frameworks: Synthesis, Structures, Thermal Properties, and Luminescence of Three Novel Lanthanide-Adipate Frameworks
de Lill, Daniel T.; Gunning, Noel S.; Cahill, Christopher L.; Inorganic Chemistry  (2005) –; doi:10.1021/ic048755k

data_4300942
_publ_section_title
;
Toward Templated Metal-Organic Frameworks: Synthesis, Structures,
Thermal Properties, and Luminescence of Three Novel
Lanthanide-Adipate Frameworks
;
_journal_name_full               'Inorganic Chemistry'
_journal_paper_doi               10.1021/ic048755k
_journal_year                    2005
_chemical_formula_sum            'C12 H21 O12 Pr'
_chemical_formula_weight         498.20
_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                74.7100(10)
_cell_angle_beta                 69.7950(10)
_cell_angle_gamma                85.9590(10)
_cell_formula_units_Z            2
_cell_length_a                   8.6550(5)
_cell_length_b                   9.9366(6)
_cell_length_c                   11.7170(6)
_cell_measurement_temperature    293(2)
_cell_volume                     911.96(9)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.814
_cod_database_code               4300942
Toward Templated Metal-Organic Frameworks: Synthesis, Structures, Thermal Properties, and Luminescence of Three Novel Lanthanide-Adipate Frameworks
de Lill, Daniel T.; Gunning, Noel S.; Cahill, Christopher L.; Inorganic Chemistry  (2005) –; doi:10.1021/ic048755k

data_4300943
_publ_section_title
;
Toward Templated Metal-Organic Frameworks: Synthesis, Structures,
Thermal Properties, and Luminescence of Three Novel
Lanthanide-Adipate Frameworks
;
_journal_name_full               'Inorganic Chemistry'
_journal_paper_doi               10.1021/ic048755k
_journal_year                    2005
_chemical_formula_sum            'C18 H29.12 O14.6 Pr2'
_chemical_formula_weight         760.98
_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                101.3547(7)
_cell_angle_beta                 106.1204(7)
_cell_angle_gamma                93.9593(5)
_cell_formula_units_Z            2
_cell_length_a                   8.67860(10)
_cell_length_b                   10.38310(10)
_cell_length_c                   13.6693(2)
_cell_measurement_temperature    293(2)
_cell_volume                     1150.11(2)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    2.1821
_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               4300943
Toward Templated Metal-Organic Frameworks: Synthesis, Structures, Thermal Properties, and Luminescence of Three Novel Lanthanide-Adipate Frameworks
de Lill, Daniel T.; Gunning, Noel S.; Cahill, Christopher L.; Inorganic Chemistry  (2005) –; doi:10.1021/ic048755k

data_4300944
_publ_section_title
;
Toward Templated Metal-Organic Frameworks: Synthesis, Structures,
Thermal Properties, and Luminescence of Three Novel
Lanthanide-Adipate Frameworks
;
_journal_name_full               'Inorganic Chemistry'
_journal_paper_doi               10.1021/ic048755k
_journal_year                    2005
_chemical_formula_sum            'C14 H18 N O7 Pr'
_chemical_formula_weight         453.20
_space_group_IT_number           60
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2n 2ab'
_symmetry_space_group_name_H-M   'P b c n'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   21.9415(10)
_cell_length_b                   7.7878(3)
_cell_length_c                   19.6649(9)
_cell_measurement_temperature    293(2)
_cell_volume                     3360.3(3)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.792
_cod_database_code               4300944
Synthesis, Structure, and Properties of [Pt(II)(diimine)(dithiolate)] Dyes with 3,3'-, 4,4'-, and 5,5'-Disubstituted Bipyridyl: Applications in Dye-Sensitized Solar Cells
Geary, Elaine A. M.; Yellowlees, Lesley J.; Jack, Lorna A.; Oswald, Iain D. H.; Parsons, Simon; Hirata, Narukuni; Durrant, James R.; Robertson, Neil; Inorganic Chemistry 44 (2005) 242–250; doi:10.1021/ic048799t

data_4300945
_publ_section_title
;
 Synthesis, Structure, and Properties of [Pt(II)(diimine)(dithiolate)] Dyes
 with 3,3'-, 4,4'-, and 5,5'-Disubstituted Bipyridyl: Applications in
 Dye-Sensitized Solar Cells
;
_journal_coden_ASTM              INOCAJ
_journal_issue                   2
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              242
_journal_page_last               250
_journal_paper_doi               10.1021/ic048799t
_journal_volume                  44
_journal_year                    2005
_chemical_formula_moiety         ' C22 H19 N5 O4 Pt1 S2 '
_chemical_formula_sum            'C22 H19 N5 O4 Pt S2'
_chemical_formula_weight         676.65
_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                 100.815(4)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   14.7735(15)
_cell_length_b                   21.632(2)
_cell_length_c                   7.5450(7)
_cell_measurement_temperature    150
_cell_volume                     2368.4(4)
_diffrn_ambient_temperature      150
_exptl_crystal_density_diffrn    1.898
_cod_duplicate_entry             4308380
_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_original_formula_sum        ' C22 H19 N5 O4 Pt1 S2 '
_cod_database_code               4300945
Insertion Reactions of Carbon Dioxide into Zn‒N Bonds: Syntheses and Structures of Tetrameric and Dimeric Alkylzinc Carbamato Complexes
Tang, Yongjun; Kassel, W. Scott; Zakharov, Lev N.; Rheingold, Arnold L.; Kemp, Richard A.; Inorganic Chemistry 44 (2005) 359–364; doi:10.1021/ic048830r

data_4300956
_publ_section_title
;
 Insertion Reactions of Carbon Dioxide into Zn--N Bonds: Syntheses and
 Structures of Tetrameric and Dimeric Alkylzinc Carbamato Complexes
;
_journal_coden_ASTM              INOCAJ
_journal_issue                   2
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              359
_journal_page_last               364
_journal_paper_doi               10.1021/ic048830r
_journal_volume                  44
_journal_year                    2005
_chemical_formula_sum            'C32 H68 N4 O8 Zn4'
_chemical_formula_weight         898.38
_space_group_IT_number           76
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_Hall  'P 4w'
_symmetry_space_group_name_H-M   'P 41'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   13.0143(4)
_cell_length_b                   13.0143(4)
_cell_length_c                   26.6298(16)
_cell_measurement_temperature    213(2)
_cell_volume                     4510.3(3)
_diffrn_ambient_temperature      213(2)
_exptl_crystal_density_diffrn    1.323
_cod_duplicate_entry             4308381
_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_database_code               4300956
Insertion Reactions of Carbon Dioxide into Zn‒N Bonds: Syntheses and Structures of Tetrameric and Dimeric Alkylzinc Carbamato Complexes
Tang, Yongjun; Kassel, W. Scott; Zakharov, Lev N.; Rheingold, Arnold L.; Kemp, Richard A.; Inorganic Chemistry 44 (2005) 359–364; doi:10.1021/ic048830r

data_4300957
_publ_section_title
;
 Insertion Reactions of Carbon Dioxide into Zn--N Bonds: Syntheses and
 Structures of Tetrameric and Dimeric Alkylzinc Carbamato Complexes
;
_journal_coden_ASTM              INOCAJ
_journal_issue                   2
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              359
_journal_page_last               364
_journal_paper_doi               10.1021/ic048830r
_journal_volume                  44
_journal_year                    2005
_chemical_formula_sum            'C40 H84 N4 O8 Zn4'
_chemical_formula_weight         1010.59
_space_group_IT_number           82
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_Hall  'I -4'
_symmetry_space_group_name_H-M   'I -4'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   13.3038(11)
_cell_length_b                   13.3038(11)
_cell_length_c                   15.006(2)
_cell_measurement_temperature    100(2)
_cell_volume                     2655.9(5)
_diffrn_ambient_temperature      100(2)
_exptl_crystal_density_diffrn    1.264
_cod_duplicate_entry             4308382
_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_database_code               4300957
Insertion Reactions of Carbon Dioxide into Zn‒N Bonds: Syntheses and Structures of Tetrameric and Dimeric Alkylzinc Carbamato Complexes
Tang, Yongjun; Kassel, W. Scott; Zakharov, Lev N.; Rheingold, Arnold L.; Kemp, Richard A.; Inorganic Chemistry 44 (2005) 359–364; doi:10.1021/ic048830r

data_4300958
_publ_section_title
;
 Insertion Reactions of Carbon Dioxide into Zn--N Bonds: Syntheses and
 Structures of Tetrameric and Dimeric Alkylzinc Carbamato Complexes
;
_journal_coden_ASTM              INOCAJ
_journal_issue                   2
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              359
_journal_page_last               364
_journal_paper_doi               10.1021/ic048830r
_journal_volume                  44
_journal_year                    2005
_chemical_formula_sum            'C28 H52 N4 O8 Zn4'
_chemical_formula_weight         834.22
_space_group_IT_number           86
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_Hall  '-P 4bc'
_symmetry_space_group_name_H-M   'P 42/n :2'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   14.3865(4)
_cell_length_b                   14.3865(4)
_cell_length_c                   8.8462(5)
_cell_measurement_temperature    213(2)
_cell_volume                     1830.91(13)
_diffrn_ambient_temperature      213(2)
_exptl_crystal_density_diffrn    1.513
_cod_duplicate_entry             4308383
_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/n'
_cod_database_code               4300958
Insertion Reactions of Carbon Dioxide into Zn‒N Bonds: Syntheses and Structures of Tetrameric and Dimeric Alkylzinc Carbamato Complexes
Tang, Yongjun; Kassel, W. Scott; Zakharov, Lev N.; Rheingold, Arnold L.; Kemp, Richard A.; Inorganic Chemistry 44 (2005) 359–364; doi:10.1021/ic048830r

data_4300959
_publ_section_title
;
 Insertion Reactions of Carbon Dioxide into Zn--N Bonds: Syntheses and
 Structures of Tetrameric and Dimeric Alkylzinc Carbamato Complexes
;
_journal_coden_ASTM              INOCAJ
_journal_issue                   2
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              359
_journal_page_last               364
_journal_paper_doi               10.1021/ic048830r
_journal_volume                  44
_journal_year                    2005
_chemical_formula_sum            'C26 H44 N4 O4 Zn2'
_chemical_formula_weight         607.40
_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                 91.3370(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   8.9062(5)
_cell_length_b                   9.3491(5)
_cell_length_c                   18.4682(10)
_cell_measurement_temperature    213(2)
_cell_volume                     1537.34(15)
_diffrn_ambient_temperature      213(2)
_exptl_crystal_density_diffrn    1.312
_cod_duplicate_entry             4308384
_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               4300959
Insertion Reactions of Carbon Dioxide into Zn‒N Bonds: Syntheses and Structures of Tetrameric and Dimeric Alkylzinc Carbamato Complexes
Tang, Yongjun; Kassel, W. Scott; Zakharov, Lev N.; Rheingold, Arnold L.; Kemp, Richard A.; Inorganic Chemistry 44 (2005) 359–364; doi:10.1021/ic048830r

data_4300960
_publ_section_title
;
 Insertion Reactions of Carbon Dioxide into Zn--N Bonds: Syntheses and
 Structures of Tetrameric and Dimeric Alkylzinc Carbamato Complexes
;
_journal_coden_ASTM              INOCAJ
_journal_issue                   2
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              359
_journal_page_last               364
_journal_paper_doi               10.1021/ic048830r
_journal_volume                  44
_journal_year                    2005
_chemical_formula_sum            'C30 H52 N4 O4 Zn2'
_chemical_formula_weight         663.50
_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                93.746(2)
_cell_angle_beta                 114.231(2)
_cell_angle_gamma                95.017(2)
_cell_formula_units_Z            1
_cell_length_a                   9.2058(10)
_cell_length_b                   9.4827(10)
_cell_length_c                   10.5975(11)
_cell_measurement_temperature    100(2)
_cell_volume                     835.15(15)
_diffrn_ambient_temperature      100(2)
_exptl_crystal_density_diffrn    1.319
_cod_duplicate_entry             4308385
_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               4300960
Low-Coordinate Chromium Siloxides: The "Box" [Cr(μ-Cl)(μ-OSitBu3)]4, Distorted Trigonal [(tBu3SiO)3Cr][Na(benzene)] and [(tBu3SiO)3Cr][Na(dibenzo-18-c-6)], and Trigonal (tBu3SiO)3Cr
Sydora, Orson L.; Wolczanski, Peter T.; Lobkovsky, Emil B.; Buda, Corneliu; Cundari, Thomas R.; Inorganic Chemistry 44 (2005) 2606–2618; doi:10.1021/ic0488334

data_4300964
_publ_section_title
;
 Low-Coordinate Chromium Siloxides: The "Box" [Cr(\m-Cl)(\m-OSitBu3)]4,
 Distorted Trigonal [(tBu3SiO)3Cr][Na(benzene)] and
 [(tBu3SiO)3Cr][Na(dibenzo-18-c-6)], and Trigonal (tBu3SiO)3Cr
;
_journal_coden_ASTM              INOCAJ
_journal_issue                   8
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              2606
_journal_page_last               2618
_journal_paper_doi               10.1021/ic0488334
_journal_volume                  44
_journal_year                    2005
_chemical_formula_sum            'C36 H81 Cr O3 Si3'
_chemical_formula_weight         698.28
_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                 95.4650(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   12.8518(6)
_cell_length_b                   22.6741(12)
_cell_length_c                   29.5161(15)
_cell_measurement_temperature    143(2)
_cell_volume                     8562.0(7)
_diffrn_ambient_temperature      143(2)
_exptl_crystal_density_diffrn    1.083
_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 

The following automatic conversions were performed:

'_diffrn_ambient_temperature' value '-130(2)' was changed to '143(2)'
- it was converted from degrees Celsius(C) to Kelvins(K).

Automatic conversion script
Id: cif_fix_values 1646 2011-03-28 12:23:43Z adriana 
;
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               4300964