LMucko/crystallography-open-database huggingface dataset:
; Organometallics  (2002) –; doi:10.1021/om0108696

data_4060821
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om0108696
_journal_year                    2002
_chemical_formula_sum            'C23 H48 Ge O Si4'
_chemical_formula_weight         525.56
_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            8
_cell_length_a                   22.264(2)
_cell_length_b                   9.0870(10)
_cell_length_c                   29.044(3)
_cell_measurement_temperature    158(2)
_cell_volume                     5875.9(11)
_diffrn_ambient_temperature      158(2)
_exptl_crystal_density_diffrn    1.188
_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               4060821
; Organometallics  (2002) –; doi:10.1021/om010888f

data_4060822
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om010888f
_journal_year                    2002
_chemical_formula_sum            'C26 H31 F5 Zr'
_chemical_formula_weight         529.73
_chemical_name_common            Cp*2Zr(C6F5)H
_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                 102.4420(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   10.572
_cell_length_b                   13.8666(2)
_cell_length_c                   16.7893(3)
_cell_measurement_temperature    193(2)
_cell_volume                     2403.38(6)
_diffrn_ambient_temperature      193(2)
_exptl_crystal_density_diffrn    1.464
_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               4060822
; Organometallics  (2002) –; doi:10.1021/om010888f

data_4060823
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om010888f
_journal_year                    2002
_chemical_formula_sum            'C26 H31 F5 Zr'
_chemical_formula_weight         529.73
_chemical_name_common            Cp*2Zr(o-C6F4H)F
_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                 92.9960(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   10.0632(4)
_cell_length_b                   21.7390(9)
_cell_length_c                   10.9645(5)
_cell_measurement_temperature    193(2)
_cell_volume                     2395.36(18)
_diffrn_ambient_temperature      193(2)
_exptl_crystal_density_diffrn    1.469
_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               4060823
; Organometallics  (2002) –; doi:10.1021/om010888f

data_4060824
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om010888f
_journal_year                    2002
_chemical_formula_sum            'C26 H32 F4 Zr'
_chemical_formula_weight         511.74
_chemical_name_common            Cp*2Zr(o-C6F4H)H
_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                 92.8670(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   10.0929(7)
_cell_length_b                   21.6773(14)
_cell_length_c                   10.9753(7)
_cell_measurement_temperature    193(2)
_cell_volume                     2398.2(3)
_diffrn_ambient_temperature      193(2)
_exptl_crystal_density_diffrn    1.417
_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               4060824
; Organometallics  (2002) –; doi:10.1021/om010888f

data_4060825
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om010888f
_journal_year                    2002
_chemical_formula_sum            'C26 H29 F5 Zr'
_chemical_formula_weight         527.71
_chemical_name_common            Cp*(C5Me4CH2)Zr(C6F5)
_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                 95.011(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   13.7421(10)
_cell_length_b                   21.8766(17)
_cell_length_c                   15.5732(12)
_cell_measurement_temperature    193(2)
_cell_volume                     4663.9(6)
_diffrn_ambient_temperature      193(2)
_exptl_crystal_density_diffrn    1.503
_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               4060825
; Organometallics  (2002) –; doi:10.1021/om010888f

data_4060826
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om010888f
_journal_year                    2002
_chemical_formula_sum            'C26 H29 Cl F4 Zr'
_chemical_formula_weight         544.16
_chemical_name_common            Cp*(C5Me4CH2C6F4)ZrCl
_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                 103.275(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   8.5961(7)
_cell_length_b                   18.8336(16)
_cell_length_c                   14.7096(13)
_cell_measurement_temperature    193(2)
_cell_volume                     2317.8(3)
_diffrn_ambient_temperature      193(2)
_exptl_crystal_density_diffrn    1.559
_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               4060826
Ren, Tong; Organometallics  (2002) –; doi:10.1021/om0109004

data_4060827
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om0109004
_journal_year                    2002
_chemical_formula_sum            'C62 H66 N8 Ru2 Si2'
_chemical_formula_weight         1181.55
_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                69.229(2)
_cell_angle_beta                 88.810(2)
_cell_angle_gamma                72.410(2)
_cell_formula_units_Z            2
_cell_length_a                   10.5325(12)
_cell_length_b                   16.0891(18)
_cell_length_c                   19.641(2)
_cell_measurement_temperature    293(2)
_cell_volume                     2952.5(6)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.329
_cod_database_code               4060827
Ren, Tong; Organometallics  (2002) –; doi:10.1021/om0109004

data_4060828
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om0109004
_journal_year                    2002
_chemical_formula_sum            'C53 H46 N8 Ru2 Si'
_chemical_formula_weight         1025.21
_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                 93.5760(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   14.2025(8)
_cell_length_b                   14.9544(9)
_cell_length_c                   22.6046(14)
_cell_measurement_temperature    300(2)
_cell_volume                     4791.6(5)
_diffrn_ambient_temperature      300(2)
_exptl_crystal_density_diffrn    1.421
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               4060828
Ren, Tong; Organometallics  (2002) –; doi:10.1021/om0109096

data_4060829
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om0109096
_journal_year                    2002
_chemical_formula_sum            'C60 H47 Br F6 Fe N5 O11 P2 Pt Re S2'
_chemical_formula_weight         1771.14
_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                91.743(1)
_cell_angle_beta                 94.729(1)
_cell_angle_gamma                95.635(1)
_cell_formula_units_Z            2
_cell_length_a                   10.5791(3)
_cell_length_b                   16.8007(3)
_cell_length_c                   19.7839(5)
_cell_measurement_temperature    153
_cell_volume                     3484.78(15)
_diffrn_ambient_temperature      153
_exptl_crystal_density_diffrn    1.688
_refine_ls_R_factor_obs          0.0600
_refine_ls_wR_factor_obs         0.1422
_cod_database_code               4060829
Ren, Tong; Organometallics  (2002) –; doi:10.1021/om010942s

data_4060830
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om010942s
_journal_year                    2002
_chemical_formula_moiety         'C16 H40 Na O4, C36 H2 B2 F30 N'
_chemical_formula_structural     '[Na(OEt2)4][NH2{B(C6F5)3}2]'
_chemical_formula_sum            'C52 H42 B2 F30 N Na O4'
_chemical_formula_weight         1359.48
_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                86.75(1)
_cell_angle_beta                 74.75(1)
_cell_angle_gamma                85.47(1)
_cell_formula_units_Z            2
_cell_length_a                   11.922(1)
_cell_length_b                   14.594(2)
_cell_length_c                   16.754(1)
_cell_measurement_temperature    140(1)
_cell_volume                     2801.6(5)
_diffrn_ambient_temperature      140(1)
_exptl_crystal_density_diffrn    1.612
_refine_ls_R_factor_obs          0.0407
_refine_ls_wR_factor_obs         0.1174
_cod_database_code               4060830
Ren, Tong; Organometallics  (2002) –; doi:

data_4060831
_journal_name_full               Organometallics
_journal_year                    2002
_chemical_formula_sum            'C29 H20 Cl4 N2 O18 Os5'
_chemical_formula_weight         1777.44
_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
_cell_angle_beta                 100.17(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   20.020(3)
_cell_length_b                   11.760(2)
_cell_length_c                   19.059(2)
_cell_measurement_temperature    293(2)
_cell_volume                     4416.7(11)
_exptl_crystal_density_diffrn    2.673
_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               4060831
Slip‒Inversion‒Slip Mechanism of Phosphametallocene Isomerization. Spectroscopic Characterization of an (η1-Phospholyl)titanium Complex. Synthesis and Structures of Chiral Mono(phospholyl)titanium Complexes
Ahn, Yi Joon; Rubio, Ramel J.; Hollis, T. Keith; Tham, Fook S.; Donnadieu, Bruno; Organometallics 25 (2006) 1079–1083; doi:10.1021/om050357h

data_4060843
_publ_section_title
;
 Slip--Inversion--Slip Mechanism of Phosphametallocene Isomerization.
 Spectroscopic Characterization of an (\h1-Phospholyl)titanium Complex.
 Synthesis and Structures of Chiral Mono(phospholyl)titanium Complexes
;
_journal_coden_ASTM              ORGND7
_journal_issue                   5
_journal_name_full               Organometallics
_journal_page_first              1079
_journal_page_last               1083
_journal_paper_doi               10.1021/om050357h
_journal_volume                  25
_journal_year                    2006
_chemical_formula_sum            'C8 H10 Cl3 P Ti'
_chemical_formula_weight         291.38
_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                102.390(2)
_cell_angle_beta                 92.824(2)
_cell_angle_gamma                109.062(2)
_cell_formula_units_Z            2
_cell_length_a                   6.7877(9)
_cell_length_b                   6.9647(9)
_cell_length_c                   12.9311(17)
_cell_measurement_temperature    218(2)
_cell_volume                     559.60(13)
_diffrn_ambient_temperature      218(2)
_exptl_crystal_density_diffrn    1.729
_cod_duplicate_entry             4074602
_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               4060843
Slip‒Inversion‒Slip Mechanism of Phosphametallocene Isomerization. Spectroscopic Characterization of an (η1-Phospholyl)titanium Complex. Synthesis and Structures of Chiral Mono(phospholyl)titanium Complexes
Ahn, Yi Joon; Rubio, Ramel J.; Hollis, T. Keith; Tham, Fook S.; Donnadieu, Bruno; Organometallics 25 (2006) 1079–1083; doi:10.1021/om050357h

data_4060844
_publ_section_title
;
 Slip--Inversion--Slip Mechanism of Phosphametallocene Isomerization.
 Spectroscopic Characterization of an (\h1-Phospholyl)titanium Complex.
 Synthesis and Structures of Chiral Mono(phospholyl)titanium Complexes
;
_journal_coden_ASTM              ORGND7
_journal_issue                   5
_journal_name_full               Organometallics
_journal_page_first              1079
_journal_page_last               1083
_journal_paper_doi               10.1021/om050357h
_journal_volume                  25
_journal_year                    2006
_chemical_formula_sum            'C12 H12 Cl3 P Ti'
_chemical_formula_weight         341.44
_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                 109.797(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   16.7957(13)
_cell_length_b                   7.1120(5)
_cell_length_c                   12.4481(9)
_cell_measurement_temperature    100(2)
_cell_volume                     1399.06(18)
_diffrn_ambient_temperature      100(2)
_exptl_crystal_density_diffrn    1.621
_cod_duplicate_entry             4074601
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               4060844
Reactions of Cyclopentadienyl-Amidinate Titanium Imido Compounds with CS2, COS, Isocyanates, and Other Unsaturated Organic Compounds
Guiducci, Aldo E.; Boyd, Catherine L.; Mountford, Philip; Organometallics 25 (2006) 1167–1187; doi:10.1021/om050784v

data_4060845
_publ_section_title
;
 Reactions of Cyclopentadienyl-Amidinate Titanium Imido Compounds with
 CS2, COS, Isocyanates, and Other Unsaturated Organic Compounds
;
_journal_coden_ASTM              ORGND7
_journal_issue                   5
_journal_name_full               Organometallics
_journal_page_first              1167
_journal_page_last               1187
_journal_paper_doi               10.1021/om050784v
_journal_volume                  25
_journal_year                    2006
_chemical_formula_moiety         ' C46 H76 N4 S2 Si4 Ti2'
_chemical_formula_sum            'C46 H76 N4 S2 Si4 Ti2'
_chemical_formula_weight         957.4
_space_group_IT_number           12
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 104.031(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   20.5239(8)
_cell_length_b                   14.2637(7)
_cell_length_c                   10.5071(4)
_cell_measurement_temperature    150
_cell_volume                     2984.2
_diffrn_ambient_temperature      150
_exptl_crystal_density_diffrn    1.07
_refine_ls_R_factor_obs          0.0744
_refine_ls_wR_factor_obs         0.0900
_cod_duplicate_entry             4074669
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_sg_symbol_H-M      'C 2/m'
_cod_original_formula_sum        ' C46 H76 N4 S2 Si4 Ti2'
_cod_database_code               4060845
Reactions of Cyclopentadienyl-Amidinate Titanium Imido Compounds with CS2, COS, Isocyanates, and Other Unsaturated Organic Compounds
Guiducci, Aldo E.; Boyd, Catherine L.; Mountford, Philip; Organometallics 25 (2006) 1167–1187; doi:10.1021/om050784v

data_4060846
_publ_section_title
;
 Reactions of Cyclopentadienyl-Amidinate Titanium Imido Compounds with
 CS2, COS, Isocyanates, and Other Unsaturated Organic Compounds
;
_journal_coden_ASTM              ORGND7
_journal_issue                   5
_journal_name_full               Organometallics
_journal_page_first              1167
_journal_page_last               1187
_journal_paper_doi               10.1021/om050784v
_journal_volume                  25
_journal_year                    2006
_chemical_formula_moiety         ' C26 H41 N3 Ti1 '
_chemical_formula_sum            'C26 H41 N3 Ti'
_chemical_formula_weight         443.53
_space_group_IT_number           110
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_Hall  'I 4bw -2c'
_symmetry_space_group_name_H-M   'I 41 c d'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            16
_cell_length_a                   20.5223(4)
_cell_length_b                   20.5223(4)
_cell_length_c                   24.3873(6)
_cell_measurement_temperature    150
_cell_volume                     10271.1
_diffrn_ambient_temperature      150
_exptl_crystal_density_diffrn    1.15
_cod_duplicate_entry             4074670
_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_formula_sum        ' C26 H41 N3 Ti1 '
_cod_database_code               4060846
Reactions of Cyclopentadienyl-Amidinate Titanium Imido Compounds with CS2, COS, Isocyanates, and Other Unsaturated Organic Compounds
Guiducci, Aldo E.; Boyd, Catherine L.; Mountford, Philip; Organometallics 25 (2006) 1167–1187; doi:10.1021/om050784v

data_4060847
_publ_section_title
;
 Reactions of Cyclopentadienyl-Amidinate Titanium Imido Compounds with
 CS2, COS, Isocyanates, and Other Unsaturated Organic Compounds
;
_journal_coden_ASTM              ORGND7
_journal_issue                   5
_journal_name_full               Organometallics
_journal_page_first              1167
_journal_page_last               1187
_journal_paper_doi               10.1021/om050784v
_journal_volume                  25
_journal_year                    2006
_chemical_formula_moiety         'C38 H60 N4 S2 Si4 Ti2 '
_chemical_formula_sum            'C38 H60 N4 S2 Si4 Ti2'
_chemical_formula_weight         845.18
_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                93.934(6)
_cell_angle_beta                 94.552(8)
_cell_angle_gamma                115.495(8)
_cell_formula_units_Z            1
_cell_length_a                   9.416(1)
_cell_length_b                   10.684(2)
_cell_length_c                   12.409(2)
_cell_measurement_temperature    175
_cell_volume                     1115.9
_diffrn_ambient_temperature      175
_exptl_crystal_density_diffrn    1.26
_refine_ls_R_factor_obs          0.0636
_refine_ls_wR_factor_obs         0.0534
_cod_duplicate_entry             4074671
_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        'C38 H60 N4 S2 Si4 Ti2 '
_cod_database_code               4060847