LMucko/crystallography-open-database huggingface dataset:
Synthesis and Reactivity of the Nine- and Ten-Vertex Iron-Monocarborane Anions [7,7,7-(CO)~3~-closo-7,1-FeCB~7~H~8~]- and [6,6,6,10,10,10-(CO)~6~-closo-6,1-FeCB~7~H~8~]-
Franken, Andreas; McGrath, Thomas D.; Stone, F. Gordon A.; Organometallics  (2005) –; doi:10.1021/om050584j

data_4061731
_publ_section_title
;
  Synthesis and Reactivity of the Nine- and Ten-Vertex
  Iron-Monocarborane Anions [7,7,7-(CO)~3~-closo-7,1-FeCB~7~H~8~]-
  and [6,6,6,10,10,10-(CO)~6~-closo-6,1-FeCB~7~H~8~]-
;
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om050584j
_journal_year                    2005
_chemical_formula_sum            'C22 H23 B7 Cu Fe O3 P'
_chemical_formula_weight         561.43
_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                 103.502(5)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   14.9313(18)
_cell_length_b                   15.151(2)
_cell_length_c                   22.761(3)
_cell_measurement_temperature    110(2)
_cell_volume                     5006.8(11)
_diffrn_ambient_temperature      110(2)
_exptl_crystal_density_diffrn    1.490
_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               4061731
Synthesis and Reactivity of the Nine- and Ten-Vertex Iron-Monocarborane Anions [7,7,7-(CO)~3~-closo-7,1-FeCB~7~H~8~]- and [6,6,6,10,10,10-(CO)~6~-closo-6,1-FeCB~7~H~8~]-
Franken, Andreas; McGrath, Thomas D.; Stone, F. Gordon A.; Organometallics  (2005) –; doi:10.1021/om050584j

data_4061732
_publ_section_title
;
  Synthesis and Reactivity of the Nine- and Ten-Vertex
  Iron-Monocarborane Anions [7,7,7-(CO)~3~-closo-7,1-FeCB~7~H~8~]-
  and [6,6,6,10,10,10-(CO)~6~-closo-6,1-FeCB~7~H~8~]-
;
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om050584j
_journal_year                    2005
_chemical_formula_sum            'C25 H23 B7 Cu Fe2 O6 P'
_chemical_formula_weight         701.31
_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                69.200(4)
_cell_angle_beta                 85.465(4)
_cell_angle_gamma                65.840(3)
_cell_formula_units_Z            2
_cell_length_a                   10.3282(8)
_cell_length_b                   12.3809(9)
_cell_length_c                   13.1265(10)
_cell_measurement_temperature    110(2)
_cell_volume                     1427.35(19)
_diffrn_ambient_temperature      110(2)
_exptl_crystal_density_diffrn    1.632
_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               4061732
Synthesis and Reactivity of the Nine- and Ten-Vertex Iron-Monocarborane Anions [7,7,7-(CO)~3~-closo-7,1-FeCB~7~H~8~]- and [6,6,6,10,10,10-(CO)~6~-closo-6,1-FeCB~7~H~8~]-
Franken, Andreas; McGrath, Thomas D.; Stone, F. Gordon A.; Organometallics  (2005) –; doi:10.1021/om050584j

data_4061733
_publ_section_title
;
  Synthesis and Reactivity of the Nine- and Ten-Vertex
  Iron-Monocarborane Anions [7,7,7-(CO)~3~-closo-7,1-FeCB~7~H~8~]-
  and [6,6,6,10,10,10-(CO)~6~-closo-6,1-FeCB~7~H~8~]-
;
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om050584j
_journal_year                    2005
_chemical_formula_sum            'C22 H23 Ag B7 Fe O3 P'
_chemical_formula_weight         605.76
_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                94.682(6)
_cell_angle_beta                 99.077(6)
_cell_angle_gamma                113.080(6)
_cell_formula_units_Z            4
_cell_length_a                   10.5912(13)
_cell_length_b                   12.0247(14)
_cell_length_c                   22.158(3)
_cell_measurement_temperature    110(2)
_cell_volume                     2531.4(5)
_diffrn_ambient_temperature      110(2)
_exptl_crystal_density_diffrn    1.589
_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               4061733
Synthesis and Reactivity of the Nine- and Ten-Vertex Iron-Monocarborane Anions [7,7,7-(CO)~3~-closo-7,1-FeCB~7~H~8~]- and [6,6,6,10,10,10-(CO)~6~-closo-6,1-FeCB~7~H~8~]-
Franken, Andreas; McGrath, Thomas D.; Stone, F. Gordon A.; Organometallics  (2005) –; doi:10.1021/om050584j

data_4061734
_publ_section_title
;
  Synthesis and Reactivity of the Nine- and Ten-Vertex
  Iron-Monocarborane Anions [7,7,7-(CO)~3~-closo-7,1-FeCB~7~H~8~]-
  and [6,6,6,10,10,10-(CO)~6~-closo-6,1-FeCB~7~H~8~]-
;
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om050584j
_journal_year                    2005
_chemical_formula_sum            'C9 H13 B7 Fe2 O6 S'
_chemical_formula_weight         436.62
_space_group_IT_number           61
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2ac 2ab'
_symmetry_space_group_name_H-M   'P b c a'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   14.847(2)
_cell_length_b                   14.354(2)
_cell_length_c                   16.395(3)
_cell_measurement_temperature    110(2)
_cell_volume                     3493.9(9)
_diffrn_ambient_temperature      110(2)
_exptl_crystal_density_diffrn    1.660
_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               4061734
Synthesis and Reactivity of the Nine- and Ten-Vertex Iron-Monocarborane Anions [7,7,7-(CO)~3~-closo-7,1-FeCB~7~H~8~]- and [6,6,6,10,10,10-(CO)~6~-closo-6,1-FeCB~7~H~8~]-
Franken, Andreas; McGrath, Thomas D.; Stone, F. Gordon A.; Organometallics  (2005) –; doi:10.1021/om050584j

data_4061735
_publ_section_title
;
  Synthesis and Reactivity of the Nine- and Ten-Vertex
  Iron-Monocarborane Anions [7,7,7-(CO)~3~-closo-7,1-FeCB~7~H~8~]-
  and [6,6,6,10,10,10-(CO)~6~-closo-6,1-FeCB~7~H~8~]-
;
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om050584j
_journal_year                    2005
_chemical_formula_sum            'C10 H19 B7 Fe2 O5 S2'
_chemical_formula_weight         470.74
_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                84.306(13)
_cell_angle_beta                 82.306(12)
_cell_angle_gamma                67.586(13)
_cell_formula_units_Z            2
_cell_length_a                   8.002(4)
_cell_length_b                   8.815(5)
_cell_length_c                   15.159(8)
_cell_measurement_temperature    110(2)
_cell_volume                     978.3(9)
_diffrn_ambient_temperature      110(2)
_exptl_crystal_density_diffrn    1.598
_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               4061735
; Organometallics  (2005) –; doi:10.1021/om050588o

data_4061736
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om050588o
_journal_year                    2005
_chemical_formula_sum            'C46 H36 Au2 Cl4 O2 P2 S'
_chemical_formula_weight         1250.48
_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                 105.3830(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   15.1745(3)
_cell_length_b                   14.0174(4)
_cell_length_c                   21.8130(5)
_cell_measurement_temperature    150(2)
_cell_volume                     4473.55(19)
_diffrn_ambient_temperature      150(2)
_exptl_crystal_density_diffrn    1.857
_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               4061736
; Organometallics  (2005) –; doi:10.1021/om050588o

data_4061737
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om050588o
_journal_year                    2005
_chemical_formula_sum            'C59.5 H51 Au2 Cl0.5 O2 P2'
_chemical_formula_weight         1271.60
_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                93.407(2)
_cell_angle_beta                 93.6630(10)
_cell_angle_gamma                96.3390(10)
_cell_formula_units_Z            2
_cell_length_a                   11.5787(2)
_cell_length_b                   11.8408(3)
_cell_length_c                   18.8233(4)
_cell_measurement_temperature    150(2)
_cell_volume                     2553.92(10)
_diffrn_ambient_temperature      150(2)
_exptl_crystal_density_diffrn    1.654
_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        'C59.50 H51 Au2 Cl0.50 O2 P2'
_cod_database_code               4061737
; Organometallics  (2005) –; doi:10.1021/om050588o

data_4061738
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om050588o
_journal_year                    2005
_chemical_formula_sum            'C49 H45 Au2 N O3 P2'
_chemical_formula_weight         1151.73
_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                65.537(2)
_cell_angle_beta                 70.290(2)
_cell_angle_gamma                81.152(2)
_cell_formula_units_Z            2
_cell_length_a                   13.1872(5)
_cell_length_b                   13.3599(6)
_cell_length_c                   14.2729(3)
_cell_measurement_temperature    150(2)
_cell_volume                     2154.46(13)
_diffrn_ambient_temperature      150(2)
_exptl_crystal_density_diffrn    1.775
_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               4061738
; Organometallics  (2005) –; doi:10.1021/om050588o

data_4061739
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om050588o
_journal_year                    2005
_chemical_formula_sum            'C47 H42 Au2 Cl2 O2 P2'
_chemical_formula_weight         1165.58
_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                 96.8120(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   12.6303(2)
_cell_length_b                   22.1259(5)
_cell_length_c                   30.8281(5)
_cell_measurement_temperature    200(2)
_cell_volume                     8554.3(3)
_diffrn_ambient_temperature      200(2)
_exptl_crystal_density_diffrn    1.810
_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               4061739
; Organometallics  (2005) –; doi:10.1021/om050588o

data_4061740
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om050588o
_journal_year                    2005
_chemical_formula_sum            'C48 H44 Au2 Cl2 O2 P2'
_chemical_formula_weight         1179.60
_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                 97.7630(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   12.5812(2)
_cell_length_b                   22.3998(3)
_cell_length_c                   31.2783(4)
_cell_measurement_temperature    150(2)
_cell_volume                     8734.0(2)
_diffrn_ambient_temperature      150(2)
_exptl_crystal_density_diffrn    1.794
_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               4061740
; Organometallics  (2005) –; doi:10.1021/om050588o

data_4061741
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om050588o
_journal_year                    2005
_chemical_formula_sum            'C49 H40 Au2 F6 O2 P2'
_chemical_formula_weight         1230.68
_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                93.601(2)
_cell_angle_beta                 95.965(2)
_cell_angle_gamma                110.796(2)
_cell_formula_units_Z            4
_cell_length_a                   11.7901(4)
_cell_length_b                   13.3497(5)
_cell_length_c                   30.9329(12)
_cell_measurement_temperature    150(2)
_cell_volume                     4500.7(3)
_diffrn_ambient_temperature      150(2)
_exptl_crystal_density_diffrn    1.816
_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               4061741
A Useful Access to the Chemistry of the Indenyl-Osmium-Triisopropyl Moiety
Esteruelas, M. A.; López, A. M. L.; Oñate, E.; Royo, E.; Organometallics  (2005) –; doi:10.1021/om050595c

data_4061742
_publ_section_title
;
A Useful Access to the Chemistry of the Indenyl-Osmium-Triisopropyl Moiety
;
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om050595c
_journal_year                    2005
_chemical_formula_sum            'C28 H49 F3 O3 Os P2 S'
_chemical_formula_weight         774.87
_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                 91.480(4)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   13.538(3)
_cell_length_b                   16.233(4)
_cell_length_c                   14.163(3)
_cell_measurement_temperature    100(2)
_cell_volume                     3111.3(13)
_diffrn_ambient_temperature      100(2)
_exptl_crystal_density_diffrn    1.654
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               4061742
A Useful Access to the Chemistry of the Indenyl-Osmium-Triisopropyl Moiety
Esteruelas, M. A.; López, A. M. L.; Oñate, E.; Royo, E.; Organometallics  (2005) –; doi:10.1021/om050595c

data_4061743
_publ_section_title
;
A Useful Access to the Chemistry of the Indenyl-Osmium-Triisopropyl Moiety
;
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om050595c
_journal_year                    2005
_chemical_formula_sum            'C31 H53.5 F3 N1.5 O3 Os P2 S'
_chemical_formula_weight         836.71
_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                76.2960(10)
_cell_angle_beta                 73.8620(10)
_cell_angle_gamma                72.2410(10)
_cell_formula_units_Z            2
_cell_length_a                   10.7045(5)
_cell_length_b                   11.0933(5)
_cell_length_c                   16.4675(8)
_cell_measurement_temperature    100(2)
_cell_volume                     1764.01(14)
_diffrn_ambient_temperature      100(2)
_exptl_crystal_density_diffrn    1.575
_cod_original_formula_sum        'C31 H53.50 F3 N1.50 O3 Os P2 S'
_cod_database_code               4061743
A Useful Access to the Chemistry of the Indenyl-Osmium-Triisopropyl Moiety
Esteruelas, M. A.; López, A. M. L.; Oñate, E.; Royo, E.; Organometallics  (2005) –; doi:10.1021/om050595c

data_4061744
_publ_section_title
;
A Useful Access to the Chemistry of the Indenyl-Osmium-Triisopropyl Moiety
;
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om050595c
_journal_year                    2005
_chemical_formula_sum            'C23 H34 F3 N2 O3 Os P S'
_chemical_formula_weight         696.75
_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                 106.0190(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   11.4739(5)
_cell_length_b                   14.9681(7)
_cell_length_c                   15.8888(8)
_cell_measurement_temperature    100(2)
_cell_volume                     2622.8(2)
_diffrn_ambient_temperature      100(2)
_exptl_crystal_density_diffrn    1.764
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               4061744
A Useful Access to the Chemistry of the Indenyl-Osmium-Triisopropyl Moiety
Esteruelas, M. A.; López, A. M. L.; Oñate, E.; Royo, E.; Organometallics  (2005) –; doi:10.1021/om050595c

data_4061745
_publ_section_title
;
A Useful Access to the Chemistry of the Indenyl-Osmium-Triisopropyl Moiety
;
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om050595c
_journal_year                    2005
_chemical_formula_sum            'C27 H51 B F4 Os P2'
_chemical_formula_weight         714.63
_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                 91.469(4)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   8.5037(17)
_cell_length_b                   16.545(3)
_cell_length_c                   20.929(4)
_cell_measurement_temperature    100(2)
_cell_volume                     2943.7(10)
_diffrn_ambient_temperature      100(2)
_exptl_crystal_density_diffrn    1.613
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               4061745
; Organometallics  (2005) –; doi:10.1021/om050610d

data_4061746
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om050610d
_journal_year                    2005
_chemical_formula_sum            'C22 H32 N2 O2 W'
_chemical_formula_weight         540.358
_chemical_temperature_decomposition 371.15
_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                 92.02(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   11.330(2)
_cell_length_b                   13.6604(10)
_cell_length_c                   13.711(2)
_cell_measurement_temperature    293(2)
_cell_volume                     2120.8(5)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.591
_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:

'_chemical_melting_point' tag was changed to
'_chemical_temperature_decomposition' since the value had been given
as '98 C decomp.'. The value '98 C decomp.' was changed to '371.15' -
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      'P 21/c'
_cod_database_code               4061746