LMucko/crystallography-open-database huggingface dataset:
2,3-Benzo-7-phosphanorbornadiene Complexes: Synthesis and Chemistry
Compain, Carine; Donnadieu, Bruno; Mathey, François; Organometallics 24 (2005) 1762–1765; doi:10.1021/om049089y

data_4060383
_publ_section_title
;
2,3-Benzo-7-phosphanorbornadiene Complexes: Synthesis and Chemistry
;
_journal_issue                   7
_journal_name_full               Organometallics
_journal_page_first              1762
_journal_page_last               1765
_journal_paper_doi               10.1021/om049089y
_journal_volume                  24
_journal_year                    2005
_chemical_formula_sum            'C23 H17 Mo O5 P'
_chemical_formula_weight         500.28
_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                102.467(12)
_cell_angle_beta                 95.424(13)
_cell_angle_gamma                103.508(12)
_cell_formula_units_Z            2
_cell_length_a                   9.122(5)
_cell_length_b                   9.217(5)
_cell_length_c                   14.069(8)
_cell_measurement_temperature    180(2)
_cell_volume                     1109.8(11)
_diffrn_ambient_temperature      180(2)
_exptl_crystal_density_diffrn    1.497
_cod_duplicate_entry             4060381
_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               4060383
2,3-Benzo-7-phosphanorbornadiene Complexes: Synthesis and Chemistry
Compain, Carine; Donnadieu, Bruno; Mathey, François; Organometallics 24 (2005) 1762–1765; doi:10.1021/om049089y

data_4060384
_publ_section_title
;
2,3-Benzo-7-phosphanorbornadiene Complexes: Synthesis and Chemistry
;
_journal_issue                   7
_journal_name_full               Organometallics
_journal_page_first              1762
_journal_page_last               1765
_journal_paper_doi               10.1021/om049089y
_journal_volume                  24
_journal_year                    2005
_chemical_formula_sum            'C12 H15 P S2'
_chemical_formula_weight         254.33
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 95.682(5)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   11.5733(12)
_cell_length_b                   6.8944(7)
_cell_length_c                   15.7794(16)
_cell_measurement_temperature    100(2)
_cell_volume                     1252.9(2)
_diffrn_ambient_temperature      100(2)
_exptl_crystal_density_diffrn    1.348
_cod_duplicate_entry             4060382
_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               4060384
From B(C6F5)3 to B(OC6F5)3: Synthesis of (C6F5)2BOC6F5 and C6F5B(OC6F5)2 and Their Relative Lewis Acidity
Britovsek, George J. P.; Ugolotti, Juri; White, Andrew J. P.; Organometallics 24 (2005) 1685–1691; doi:10.1021/om049091p

data_4060385
_publ_section_title
;
 From B(C6F5)3 to B(OC6F5)3: Synthesis of (C6F5)2BOC6F5 and C6F5B(OC6F5)2
 and Their Relative Lewis Acidity
;
_journal_coden_ASTM              ORGND7
_journal_issue                   7
_journal_name_full               Organometallics
_journal_page_first              1685
_journal_page_last               1691
_journal_paper_doi               10.1021/om049091p
_journal_volume                  24
_journal_year                    2005
_chemical_formula_sum            'C18 B F15 O'
_chemical_formula_weight         527.99
_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                83.18(2)
_cell_angle_beta                 78.31(3)
_cell_angle_gamma                89.39(2)
_cell_formula_units_Z            2
_cell_length_a                   6.6111(16)
_cell_length_b                   8.6330(19)
_cell_length_c                   15.917(4)
_cell_measurement_temperature    173(2)
_cell_volume                     883.2(3)
_diffrn_ambient_temperature      173(2)
_exptl_crystal_density_diffrn    1.985
_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 

 Updated bibliographic information.

 Antanas Vaitkus,
 2019-10-02
;
_cod_database_code               4060385
From B(C6F5)3 to B(OC6F5)3: Synthesis of (C6F5)2BOC6F5 and C6F5B(OC6F5)2 and Their Relative Lewis Acidity
Britovsek, George J. P.; Ugolotti, Juri; White, Andrew J. P.; Organometallics 24 (2005) 1685–1691; doi:10.1021/om049091p

data_4060386
_publ_section_title
;
 From B(C6F5)3 to B(OC6F5)3: Synthesis of (C6F5)2BOC6F5 and C6F5B(OC6F5)2
 and Their Relative Lewis Acidity
;
_journal_coden_ASTM              ORGND7
_journal_issue                   7
_journal_name_full               Organometallics
_journal_page_first              1685
_journal_page_last               1691
_journal_paper_doi               10.1021/om049091p
_journal_volume                  24
_journal_year                    2005
_chemical_formula_sum            'C18 B F15 O2'
_chemical_formula_weight         543.99
_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                83.699(15)
_cell_angle_beta                 84.364(18)
_cell_angle_gamma                79.853(11)
_cell_formula_units_Z            2
_cell_length_a                   6.0687(13)
_cell_length_b                   10.5527(19)
_cell_length_c                   14.722(3)
_cell_measurement_temperature    203(2)
_cell_volume                     919.5(3)
_diffrn_ambient_temperature      203(2)
_exptl_crystal_density_diffrn    1.965
_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 

 Updated bibliographic information.

 Antanas Vaitkus,
 2019-10-02
;
_cod_database_code               4060386
From B(C6F5)3 to B(OC6F5)3: Synthesis of (C6F5)2BOC6F5 and C6F5B(OC6F5)2 and Their Relative Lewis Acidity
Britovsek, George J. P.; Ugolotti, Juri; White, Andrew J. P.; Organometallics 24 (2005) 1685–1691; doi:10.1021/om049091p

data_4060387
_publ_section_title
;
 From B(C6F5)3 to B(OC6F5)3: Synthesis of (C6F5)2BOC6F5 and C6F5B(OC6F5)2
 and Their Relative Lewis Acidity
;
_journal_coden_ASTM              ORGND7
_journal_issue                   7
_journal_name_full               Organometallics
_journal_page_first              1685
_journal_page_last               1691
_journal_paper_doi               10.1021/om049091p
_journal_volume                  24
_journal_year                    2005
_chemical_formula_sum            'C18 B F15 O3'
_chemical_formula_weight         559.99
_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                 93.620(19)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   16.611(5)
_cell_length_b                   5.618(6)
_cell_length_c                   20.090(7)
_cell_measurement_temperature    203(2)
_cell_volume                     1871(2)
_diffrn_ambient_temperature      203(2)
_exptl_crystal_density_diffrn    1.988
_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 

 Updated bibliographic information.

 Antanas Vaitkus,
 2019-10-02
;
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               4060387
Cobaloximes with Dimesitylglyoxime: Synthesis, Characterization, and Spectral Correlations with the Related Cobaloximes
Mandal, Debaprasad; Gupta, B. D.; Organometallics 24 (2005) 1501–1510; doi:10.1021/om049096m

data_4060388
_publ_section_title
;
 Cobaloximes with Dimesitylglyoxime: Synthesis, Characterization,
 and Spectral Correlations with the Related Cobaloximes
;
_journal_coden_ASTM              ORGND7
_journal_issue                   7
_journal_name_full               Organometallics
_journal_page_first              1501
_journal_page_last               1510
_journal_paper_doi               10.1021/om049096m
_journal_volume                  24
_journal_year                    2005
_chemical_formula_moiety         'C47 H56 Cl2 Co1 N5 O4'
_chemical_formula_sum            'C47 H56 Cl2 Co N5 O4'
_chemical_formula_weight         1769.60
_chemical_name_common            'Methyl cobalt(III) Mesitylglyoxime Pyridine'
_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                90.000(0)
_cell_angle_beta                 108.006(17)
_cell_angle_gamma                90.000(0)
_cell_formula_units_Z            8
_cell_length_a                   27.939(15)
_cell_length_b                   9.226(5)
_cell_length_c                   37.232(2)
_cell_measurement_temperature    293(2)
_cell_volume                     9127(5)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.288
_cod_duplicate_entry             4075671
_cod_depositor_comments
;
 Updated bibliographic information.

 Antanas Vaitkus,
 2019-10-02

 Marked entry as a duplicate of entry 4075671.

 Antanas Vaitkus,
 2019-10-02
;
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               4060388
Cobaloximes with Dimesitylglyoxime: Synthesis, Characterization, and Spectral Correlations with the Related Cobaloximes
Mandal, Debaprasad; Gupta, B. D.; Organometallics 24 (2005) 1501–1510; doi:10.1021/om049096m

data_4060389
_publ_section_title
;
 Cobaloximes with Dimesitylglyoxime: Synthesis, Characterization,
 and Spectral Correlations with the Related Cobaloximes
;
_journal_coden_ASTM              ORGND7
_journal_issue                   7
_journal_name_full               Organometallics
_journal_page_first              1501
_journal_page_last               1510
_journal_paper_doi               10.1021/om049096m
_journal_volume                  24
_journal_year                    2005
_chemical_formula_moiety         'C47 H54 Cl1 Co1 N6 O4'
_chemical_formula_sum            'C47 H54 Cl Co N6 O4'
_chemical_formula_weight         1722.68
_chemical_name_common            'Chloro cobalt(III) Mesitylglyoxime Pyridine'
_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                90.000(0)
_cell_angle_beta                 108.043(6)
_cell_angle_gamma                90.000(0)
_cell_formula_units_Z            8
_cell_length_a                   27.776(8)
_cell_length_b                   9.071(2)
_cell_length_c                   36.827(10)
_cell_measurement_temperature    293(2)
_cell_volume                     8822(5)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.297
_cod_duplicate_entry             4075672
_cod_depositor_comments
;
 Updated bibliographic information.

 Antanas Vaitkus,
 2019-10-02

 Marked entry as a duplicate of entry 4075672.

 Antanas Vaitkus,
 2019-10-02
;
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               4060389
Cobaloximes with Dimesitylglyoxime: Synthesis, Characterization, and Spectral Correlations with the Related Cobaloximes
Mandal, Debaprasad; Gupta, B. D.; Organometallics 24 (2005) 1501–1510; doi:10.1021/om049096m

data_4060390
_publ_section_title
;
 Cobaloximes with Dimesitylglyoxime: Synthesis, Characterization,
 and Spectral Correlations with the Related Cobaloximes
;
_journal_coden_ASTM              ORGND7
_journal_issue                   7
_journal_name_full               Organometallics
_journal_page_first              1501
_journal_page_last               1510
_journal_paper_doi               10.1021/om049096m
_journal_volume                  24
_journal_year                    2005
_chemical_formula_moiety         'C46 H53 Br1 Cl2 Co1 N5 O4'
_chemical_formula_sum            'C46 H53 Br Cl2 Co N5 O4'
_chemical_formula_weight         1899.35
_chemical_name_common            'Bromo cobalt(III) Mesitylglyoxime Pyridine'
_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                90.000(0)
_cell_angle_beta                 108.493(2)
_cell_angle_gamma                90.000(0)
_cell_formula_units_Z            8
_cell_length_a                   27.579(17)
_cell_length_b                   9.116(5)
_cell_length_c                   36.610(2)
_cell_measurement_temperature    100(2)
_cell_volume                     8729(7)
_diffrn_ambient_temperature      100(2)
_exptl_crystal_density_diffrn    1.445
_cod_duplicate_entry             4075673
_cod_depositor_comments
;
 Updated bibliographic information.

 Antanas Vaitkus,
 2019-10-02

 Marked entry as a duplicate of entry 4075673.

 Antanas Vaitkus,
 2019-10-02
;
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               4060390
Sigma-Bond Metathesis Reactions of Zirconocene Alkyl Cations with Phenylsilane
Wu, Fan; Jordan, Richard F.; Organometallics 24 (2005) 2688–2697; doi:10.1021/om049099z

data_4060391
_publ_section_title
;
 Sigma-Bond Metathesis Reactions of Zirconocene Alkyl Cations with Phenylsilane
;
_journal_coden_ASTM              ORGND7
_journal_issue                   11
_journal_name_full               Organometallics
_journal_page_first              2688
_journal_page_last               2697
_journal_paper_doi               10.1021/om049099z
_journal_volume                  24
_journal_year                    2005
_chemical_formula_sum            'C34 H10 B Cl F20 Zr'
_chemical_formula_weight         935.90
_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                64.500(4)
_cell_angle_beta                 87.263(4)
_cell_angle_gamma                84.660(4)
_cell_formula_units_Z            2
_cell_length_a                   10.006(2)
_cell_length_b                   12.497(3)
_cell_length_c                   13.971(3)
_cell_measurement_temperature    100(2)
_cell_volume                     1569.9(6)
_diffrn_ambient_temperature      100(2)
_exptl_crystal_density_diffrn    1.980
_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 

 Updated bibliographic information.

 Antanas Vaitkus,
 2019-10-02
;
_cod_database_code               4060391
Sigma-Bond Metathesis Reactions of Zirconocene Alkyl Cations with Phenylsilane
Wu, Fan; Jordan, Richard F.; Organometallics 24 (2005) 2688–2697; doi:10.1021/om049099z

data_4060392
_publ_section_title
;
 Sigma-Bond Metathesis Reactions of Zirconocene Alkyl Cations with Phenylsilane
;
_journal_coden_ASTM              ORGND7
_journal_issue                   11
_journal_name_full               Organometallics
_journal_page_first              2688
_journal_page_last               2697
_journal_paper_doi               10.1021/om049099z
_journal_volume                  24
_journal_year                    2005
_chemical_formula_sum            'C84 H38 B2 Cl4 F40 Zr2'
_chemical_formula_weight         2153.00
_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                85.334(4)
_cell_angle_beta                 68.088(4)
_cell_angle_gamma                75.768(4)
_cell_formula_units_Z            1
_cell_length_a                   11.684(2)
_cell_length_b                   13.503(3)
_cell_length_c                   13.712(3)
_cell_measurement_temperature    100(2)
_cell_volume                     1945.3(7)
_diffrn_ambient_temperature      100(2)
_exptl_crystal_density_diffrn    1.838
_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 

 Updated bibliographic information.

 Antanas Vaitkus,
 2019-10-02
;
_cod_database_code               4060392
Sigma-Bond Metathesis Reactions of Zirconocene Alkyl Cations with Phenylsilane
Wu, Fan; Jordan, Richard F.; Organometallics 24 (2005) 2688–2697; doi:10.1021/om049099z

data_4060393
_publ_section_title
;
 Sigma-Bond Metathesis Reactions of Zirconocene Alkyl Cations with Phenylsilane
;
_journal_coden_ASTM              ORGND7
_journal_issue                   11
_journal_name_full               Organometallics
_journal_page_first              2688
_journal_page_last               2697
_journal_paper_doi               10.1021/om049099z
_journal_volume                  24
_journal_year                    2005
_chemical_formula_sum            'C55 H24 B F20 N Zr'
_chemical_formula_weight         1180.78
_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                 91.45(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   27.854(6)
_cell_length_b                   18.962(4)
_cell_length_c                   17.008(3)
_cell_measurement_temperature    100(2)
_cell_volume                     8980(3)
_diffrn_ambient_temperature      100(2)
_exptl_crystal_density_diffrn    1.747
_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 

 Updated bibliographic information.

 Antanas Vaitkus,
 2019-10-02
;
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               4060393
Synthesis of the 13-Vertex Rhodacarborane Anion [4-(1,2:5,6-η-cod)- closo-4,1,6-RhC~2~B~10~H~12~]^-^ and its Reactions with Electrophiles
Hodson, Bruce E.; McGrath, Thomas D.; Stone, F. Gordon A.; Organometallics  (2005) –; doi:10.1021/om049102e

data_4060394
_publ_section_title
;
  Synthesis of the 13-Vertex Rhodacarborane Anion [4-(1,2:5,6-\h-cod)-
  closo-4,1,6-RhC~2~B~10~H~12~]^-^ and its Reactions with Electrophiles
;
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om049102e
_journal_year                    2005
_chemical_formula_sum            'C49.5 H58 B10 N P2 Rh'
_chemical_formula_weight         939.92
_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                 128.431(4)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   39.741(3)
_cell_length_b                   10.3844(10)
_cell_length_c                   28.915(2)
_cell_measurement_temperature    110(2)
_cell_volume                     9347.8(14)
_diffrn_ambient_temperature      110(2)
_exptl_crystal_density_diffrn    1.336
_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_original_formula_sum        'C49.50 H58 B10 N P2 Rh'
_cod_database_code               4060394
Synthesis of the 13-Vertex Rhodacarborane Anion [4-(1,2:5,6-η-cod)- closo-4,1,6-RhC~2~B~10~H~12~]^-^ and its Reactions with Electrophiles
Hodson, Bruce E.; McGrath, Thomas D.; Stone, F. Gordon A.; Organometallics  (2005) –; doi:10.1021/om049102e

data_4060395
_publ_section_title
;
  Synthesis of the 13-Vertex Rhodacarborane Anion [4-(1,2:5,6-\h-cod)-
  closo-4,1,6-RhC~2~B~10~H~12~]^-^ and its Reactions with Electrophiles
;
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om049102e
_journal_year                    2005
_chemical_formula_sum            'C28 H39 B10 Cu P Rh'
_chemical_formula_weight         681.11
_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                 93.882(4)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   8.7860(10)
_cell_length_b                   14.2795(16)
_cell_length_c                   24.498(2)
_cell_measurement_temperature    110(2)
_cell_volume                     3066.5(6)
_diffrn_ambient_temperature      110(2)
_exptl_crystal_density_diffrn    1.475
_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               4060395