LMucko/crystallography-open-database huggingface dataset:
Auration of Thiophene and Furan: Structures of the 2-Mono- and 2,2-Diaurated Products
Porter, Keith A.; Schier, Annette; Schmidbaur, Hubert; Organometallics 22 (2003) 4922–4927; doi:10.1021/om030575f

data_4062338
_publ_section_title
;
 Auration of Thiophene and Furan: Structures of the 2-Mono- and
 2,2-Diaurated Products
;
_journal_issue                   24
_journal_name_full               Organometallics
_journal_page_first              4922
_journal_page_last               4927
_journal_paper_doi               10.1021/om030575f
_journal_volume                  22
_journal_year                    2003
_chemical_formula_sum            'C40 H33 Au2 B F4 O P2'
_chemical_formula_weight         1072.35
_space_group_IT_number           62
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   17.3338(2)
_cell_length_b                   21.1912(2)
_cell_length_c                   9.9489(1)
_cell_measurement_temperature    143(2)
_cell_volume                     3654.47(7)
_diffrn_ambient_temperature      143(2)
_exptl_crystal_density_diffrn    1.949
_cod_database_code               4062338
Dinuclear Gold(I) "A-Frame" Complexes from Geminal Diauration of 2,4-Diketones, Methylene-Disulfones and Cyanomethylsulfones
H. Schmidbaur; B. Djordjevic; K. A. Porter; A. Schier; S. Nogai; Organometallics  (2003) –; doi:

data_4062339
_publ_section_title
;
Dinuclear Gold(I) "A-Frame" Complexes from Geminal Diauration of
2,4-Diketones, Methylene-Disulfones and Cyanomethylsulfones
;
_journal_name_full               Organometallics
_journal_year                    2003
_chemical_formula_sum            'C41 H36 Au2 O2 P2'
_chemical_formula_weight         1016.57
_chemical_name_common            '[(Ph3P)Au)]2C(COMe)2'
_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                 90.539(1)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   11.3072(2)
_cell_length_b                   14.6604(2)
_cell_length_c                   21.4490(4)
_cell_measurement_temperature    143(2)
_cell_volume                     3555.4(1)
_diffrn_ambient_temperature      143(2)
_exptl_crystal_density_diffrn    1.899
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               4062339
Dinuclear Gold(I) "A-Frame" Complexes from Geminal Diauration of 2,4-Diketones, Methylene-Disulfones and Cyanomethylsulfones
H. Schmidbaur; B. Djordjevic; K. A. Porter; A. Schier; S. Nogai; Organometallics  (2003) –; doi:

data_4062340
_publ_section_title
;
Dinuclear Gold(I) "A-Frame" Complexes from Geminal Diauration of
2,4-Diketones, Methylene-Disulfones and Cyanomethylsulfones
;
_journal_name_full               Organometallics
_journal_year                    2003
_chemical_formula_sum            'C39 H36 Au2 O4 P2 S2'
_chemical_formula_weight         1088.67
_chemical_name_common            (Ph3PAu)2C(SO2CH3)2
_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                103.9487(10)
_cell_angle_beta                 99.3164(9)
_cell_angle_gamma                115.0254(9)
_cell_formula_units_Z            2
_cell_length_a                   11.4657(2)
_cell_length_b                   11.7608(2)
_cell_length_c                   16.5745(3)
_cell_measurement_temperature    143(2)
_cell_volume                     1874.90(6)
_diffrn_ambient_temperature      143(2)
_exptl_crystal_density_diffrn    1.928
_cod_database_code               4062340
Dinuclear Gold(I) "A-Frame" Complexes from Geminal Diauration of 2,4-Diketones, Methylene-Disulfones and Cyanomethylsulfones
H. Schmidbaur; B. Djordjevic; K. A. Porter; A. Schier; S. Nogai; Organometallics  (2003) –; doi:

data_4062341
_publ_section_title
;
Dinuclear Gold(I) "A-Frame" Complexes from Geminal Diauration of
2,4-Diketones, Methylene-Disulfones and Cyanomethylsulfones
;
_journal_name_full               Organometallics
_journal_year                    2003
_chemical_formula_sum            'C39 H36 As2 Au2 O4 S2'
_chemical_formula_weight         1176.57
_chemical_name_common            '[(Ph3As)Au)]2C(SO2Me)2'
_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                103.8365(7)
_cell_angle_beta                 99.8222(9)
_cell_angle_gamma                114.5907(8)
_cell_formula_units_Z            2
_cell_length_a                   11.6199(2)
_cell_length_b                   11.8709(2)
_cell_length_c                   16.6124(3)
_cell_measurement_temperature    143(2)
_cell_volume                     1926.19(6)
_diffrn_ambient_temperature      143(2)
_exptl_crystal_density_diffrn    2.029
_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               4062341
Dinuclear Gold(I) "A-Frame" Complexes from Geminal Diauration of 2,4-Diketones, Methylene-Disulfones and Cyanomethylsulfones
H. Schmidbaur; B. Djordjevic; K. A. Porter; A. Schier; S. Nogai; Organometallics  (2003) –; doi:

data_4062342
_publ_section_title
;
Dinuclear Gold(I) "A-Frame" Complexes from Geminal Diauration of
2,4-Diketones, Methylene-Disulfones and Cyanomethylsulfones
;
_journal_name_full               Organometallics
_journal_year                    2003
_chemical_formula_sum            'C30 H34 Au2 Cl2 O4 P2 S2'
_chemical_formula_weight         1049.47
_chemical_name_common            '[(MePh2P)Au)]2C(SO2Me)2'
_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                95.2932(6)
_cell_angle_beta                 92.9236(5)
_cell_angle_gamma                93.3897(7)
_cell_formula_units_Z            2
_cell_length_a                   11.03210(10)
_cell_length_b                   12.1649(2)
_cell_length_c                   12.9915(2)
_cell_measurement_temperature    143(2)
_cell_volume                     1730.25(4)
_diffrn_ambient_temperature      143(2)
_exptl_crystal_density_diffrn    2.014
_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               4062342
Dinuclear Gold(I) "A-Frame" Complexes from Geminal Diauration of 2,4-Diketones, Methylene-Disulfones and Cyanomethylsulfones
H. Schmidbaur; B. Djordjevic; K. A. Porter; A. Schier; S. Nogai; Organometallics  (2003) –; doi:

data_4062343
_publ_section_title
;
Dinuclear Gold(I) "A-Frame" Complexes from Geminal Diauration of
2,4-Diketones, Methylene-Disulfones and Cyanomethylsulfones
;
_journal_name_full               Organometallics
_journal_year                    2003
_chemical_formula_sum            'C50 H41 Au2 Cl3 O4 P2 S2'
_chemical_formula_weight         1332.17
_chemical_name_common            (Ph3PAu)2C(SO2Ph)2
_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                 90.9539(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   10.40530(10)
_cell_length_b                   17.54550(10)
_cell_length_c                   26.4409(3)
_cell_measurement_temperature    143(2)
_cell_volume                     4826.55(8)
_diffrn_ambient_temperature      143(2)
_exptl_crystal_density_diffrn    1.833
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               4062343
Dinuclear Gold(I) "A-Frame" Complexes from Geminal Diauration of 2,4-Diketones, Methylene-Disulfones and Cyanomethylsulfones
H. Schmidbaur; B. Djordjevic; K. A. Porter; A. Schier; S. Nogai; Organometallics  (2003) –; doi:

data_4062344
_publ_section_title
;
Dinuclear Gold(I) "A-Frame" Complexes from Geminal Diauration of
2,4-Diketones, Methylene-Disulfones and Cyanomethylsulfones
;
_journal_name_full               Organometallics
_journal_year                    2003
_chemical_formula_sum            'C45.25 H37.5 Au2 Cl2.5 N O2 P2 S'
_chemical_formula_weight         1203.82
_chemical_name_common            (Ph3PAu)2C(SO2Ph)CN
_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                 94.8214(4)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   18.69290(10)
_cell_length_b                   26.5958(2)
_cell_length_c                   17.5871(2)
_cell_measurement_temperature    143(2)
_cell_volume                     8712.53(13)
_diffrn_ambient_temperature      143(2)
_exptl_crystal_density_diffrn    1.836
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_original_formula_sum        'C45.25 H37.50 Au2 Cl2.50 N O2 P2 S'
_cod_database_code               4062344
Dinuclear Gold(I) "A-Frame" Complexes from Geminal Diauration of 2,4-Diketones, Methylene-Disulfones and Cyanomethylsulfones
H. Schmidbaur; B. Djordjevic; K. A. Porter; A. Schier; S. Nogai; Organometallics  (2003) –; doi:

data_4062345
_publ_section_title
;
Dinuclear Gold(I) "A-Frame" Complexes from Geminal Diauration of
2,4-Diketones, Methylene-Disulfones and Cyanomethylsulfones
;
_journal_name_full               Organometallics
_journal_year                    2003
_chemical_formula_sum            'C62 H50 Au3 B F4 N O2 P3 S'
_chemical_formula_weight         1643.71
_chemical_name_common            {[(Ph3P)Au]2C(SO2Ph)CN[Au(PPh3)]}+BF4-
_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                110.9539(4)
_cell_angle_beta                 96.8981(5)
_cell_angle_gamma                104.3732(9)
_cell_formula_units_Z            4
_cell_length_a                   18.1884(2)
_cell_length_b                   20.3524(2)
_cell_length_c                   22.4324(3)
_cell_measurement_temperature    143(2)
_cell_volume                     7309.09(15)
_diffrn_ambient_temperature      143(2)
_exptl_crystal_density_diffrn    1.494
_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               4062345
Dinuclear Gold(I) "A-Frame" Complexes from Geminal Diauration of 2,4-Diketones, Methylene-Disulfones and Cyanomethylsulfones
H. Schmidbaur; B. Djordjevic; K. A. Porter; A. Schier; S. Nogai; Organometallics  (2003) –; doi:

data_4062346
_publ_section_title
;
Dinuclear Gold(I) "A-Frame" Complexes from Geminal Diauration of
2,4-Diketones, Methylene-Disulfones and Cyanomethylsulfones
;
_journal_name_full               Organometallics
_journal_year                    2003
_chemical_formula_sum            'C31 H26 Au O2 P S'
_chemical_formula_weight         690.52
_chemical_name_common            (Ph3PAu)CHPh(SO2Ph)
_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                103.2114(10)
_cell_angle_beta                 99.8102(9)
_cell_angle_gamma                111.5949(9)
_cell_formula_units_Z            2
_cell_length_a                   9.3962(2)
_cell_length_b                   11.7909(2)
_cell_length_c                   13.6671(3)
_cell_measurement_temperature    143(2)
_cell_volume                     1315.34(5)
_diffrn_ambient_temperature      143(2)
_exptl_crystal_density_diffrn    1.743
_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               4062346
Facile Synthesis and Structures of η^6^-Arene Bis(silyl) Complexes of Ruthenium(II): (η^6^-arene)Ru(PPh~3~)(SiX~3~)~2~
Burgio, James; Yardy, Nicholas M.; Petersen, Jeffrey L.; Lemke, Frederick R.; Organometallics 22 (2003) 4928–4932; doi:10.1021/om034009w

data_4062347
_publ_section_title
;
 Facile Synthesis and Structures of \h^6^-Arene Bis(silyl) Complexes of
 Ruthenium(II): (\h^6^-arene)Ru(PPh~3~)(SiX~3~)~2~
;
_journal_issue                   24
_journal_name_full               Organometallics
_journal_page_first              4928
_journal_page_last               4932
_journal_paper_doi               10.1021/om034009w
_journal_volume                  22
_journal_year                    2003
_chemical_formula_sum            'C30 H39 P Ru Si2'
_chemical_formula_weight         587.83
_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                 106.380(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   11.2120(10)
_cell_length_b                   15.1020(10)
_cell_length_c                   17.6690(10)
_cell_measurement_temperature    293(2)
_cell_volume                     2870.3(4)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.360
_refine_ls_R_factor_obs          0.0367
_refine_ls_wR_factor_obs         0.0638
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               4062347
Facile Synthesis and Structures of η^6^-Arene Bis(silyl) Complexes of Ruthenium(II): (η^6^-arene)Ru(PPh~3~)(SiX~3~)~2~
Burgio, James; Yardy, Nicholas M.; Petersen, Jeffrey L.; Lemke, Frederick R.; Organometallics 22 (2003) 4928–4932; doi:10.1021/om034009w

data_4062348
_publ_section_title
;
 Facile Synthesis and Structures of \h^6^-Arene Bis(silyl) Complexes of
 Ruthenium(II): (\h^6^-arene)Ru(PPh~3~)(SiX~3~)~2~
;
_journal_issue                   24
_journal_name_full               Organometallics
_journal_page_first              4928
_journal_page_last               4932
_journal_paper_doi               10.1021/om034009w
_journal_volume                  22
_journal_year                    2003
_chemical_formula_sum            'C24 H21 Cl6 P Ru Si2'
_chemical_formula_weight         710.33
_space_group_IT_number           33
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'P 2c -2n'
_symmetry_space_group_name_H-M   'P n a 21'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   18.7214(11)
_cell_length_b                   12.5845(7)
_cell_length_c                   11.5291(6)
_cell_measurement_temperature    295(2)
_cell_volume                     2716.2(3)
_diffrn_ambient_temperature      295(2)
_exptl_crystal_density_diffrn    1.737
_cod_original_sg_symbol_H-M      'P ? ? ?'
_cod_database_code               4062348
Facile Synthesis and Structures of η^6^-Arene Bis(silyl) Complexes of Ruthenium(II): (η^6^-arene)Ru(PPh~3~)(SiX~3~)~2~
Burgio, James; Yardy, Nicholas M.; Petersen, Jeffrey L.; Lemke, Frederick R.; Organometallics 22 (2003) 4928–4932; doi:10.1021/om034009w

data_4062349
_publ_section_title
;
 Facile Synthesis and Structures of \h^6^-Arene Bis(silyl) Complexes of
 Ruthenium(II): (\h^6^-arene)Ru(PPh~3~)(SiX~3~)~2~
;
_journal_issue                   24
_journal_name_full               Organometallics
_journal_page_first              4928
_journal_page_last               4932
_journal_paper_doi               10.1021/om034009w
_journal_volume                  22
_journal_year                    2003
_chemical_formula_sum            'C26 H27 Cl4 P Ru Si2'
_chemical_formula_weight         669.50
_space_group_IT_number           33
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'P 2c -2n'
_symmetry_space_group_name_H-M   'P n a 21'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   19.102(4)
_cell_length_b                   12.639(3)
_cell_length_c                   11.546(2)
_cell_measurement_temperature    293(2)
_cell_volume                     2787.6(10)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.595
_refine_ls_R_factor_obs          0.0340
_refine_ls_wR_factor_obs         0.0668
_cod_original_sg_symbol_H-M      'P ? ? ?'
_cod_database_code               4062349
New Reactivity Modes of Chromium(0) Fischer Carbene Complexes: Unprecedented Insertion of a Carbene Ligand into an Active B-H Bond
Ramírez-López, Pedro; Sierra, Miguel A.; Gómez-Gallego, Mar; Mancheño, María José; Gornitzka, Heinz; Organometallics 22 (2003) 5092–5099; doi:10.1021/om034010v

data_4062350
_publ_section_title
;
 New Reactivity Modes of Chromium(0) Fischer Carbene Complexes: Unprecedented
 Insertion of a Carbene Ligand into an Active B-H Bond
;
_journal_issue                   24
_journal_name_full               Organometallics
_journal_page_first              5092
_journal_page_last               5099
_journal_paper_doi               10.1021/om034010v
_journal_volume                  22
_journal_year                    2003
_chemical_formula_sum            'C20 H20 B N4 Na O2'
_chemical_formula_weight         382.20
_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                   8.7633(6)
_cell_length_b                   7.8939(6)
_cell_length_c                   38.657(3)
_cell_measurement_temperature    193(2)
_cell_volume                     2674.2(3)
_diffrn_ambient_temperature      193(2)
_exptl_crystal_density_diffrn    1.899
_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               4062350
Electrochemistry of Late Transition Metal Complexes Containing the Ligand 1,1'-Bis(diisopropylphosphino)ferrocene (dippf)
Ong, Joyce H. L.; Nataro, Chip; Golen, James A.; Rheingold, Arnold L.; Organometallics 22 (2003) 5027–5032; doi:10.1021/om0340138

data_4062351
_publ_section_title
;
 Electrochemistry of Late Transition Metal Complexes Containing the Ligand
 1,1'-Bis(diisopropylphosphino)ferrocene (dippf)
;
_journal_issue                   24
_journal_name_full               Organometallics
_journal_page_first              5027
_journal_page_last               5032
_journal_paper_doi               10.1021/om0340138
_journal_volume                  22
_journal_year                    2003
_chemical_formula_sum            'C22 H36 Cl2 Fe P2 Zn'
_chemical_formula_weight         554.57
_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                   17.173(4)
_cell_length_b                   17.134(4)
_cell_length_c                   17.322(4)
_cell_measurement_temperature    220(2)
_cell_volume                     5097(2)
_diffrn_ambient_temperature      220(2)
_exptl_crystal_density_diffrn    1.445
_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               4062351
Electrochemistry of Late Transition Metal Complexes Containing the Ligand 1,1'-Bis(diisopropylphosphino)ferrocene (dippf)
Ong, Joyce H. L.; Nataro, Chip; Golen, James A.; Rheingold, Arnold L.; Organometallics 22 (2003) 5027–5032; doi:10.1021/om0340138

data_4062352
_publ_section_title
;
 Electrochemistry of Late Transition Metal Complexes Containing the Ligand
 1,1'-Bis(diisopropylphosphino)ferrocene (dippf)
;
_journal_issue                   24
_journal_name_full               Organometallics
_journal_page_first              5027
_journal_page_last               5032
_journal_paper_doi               10.1021/om0340138
_journal_volume                  22
_journal_year                    2003
_chemical_formula_sum            'C22 H36 Cl2 Fe P2 Pt'
_chemical_formula_weight         684.29
_space_group_IT_number           52
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2a 2bc'
_symmetry_space_group_name_H-M   'P n n a'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   16.0504(16)
_cell_length_b                   16.9112(18)
_cell_length_c                   8.8811(10)
_cell_measurement_temperature    220(2)
_cell_volume                     2410.6(4)
_diffrn_ambient_temperature      220(2)
_exptl_crystal_density_diffrn    1.885
_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               4062352