LMucko/crystallography-open-database huggingface dataset:
; Organometallics  (2004) –; doi:10.1021/om034396+

data_4062649
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om034396+
_journal_year                    2004
_chemical_formula_sum            'C29 H83 Na O4 Si11'
_chemical_formula_weight         827.93
_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                   12.984(3)
_cell_length_b                   18.681(4)
_cell_length_c                   22.816(5)
_cell_measurement_temperature    213(2)
_cell_volume                     5534.3(19)
_diffrn_ambient_temperature      213(2)
_exptl_crystal_density_diffrn    0.994
_cod_database_code               4062649
; Organometallics  (2004) –; doi:10.1021/om034396+

data_4062650
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om034396+
_journal_year                    2004
_chemical_formula_sum            'C48 H108 K2 O12 Si10'
_chemical_formula_weight         1236.44
_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                80.16(3)
_cell_angle_beta                 72.47(3)
_cell_angle_gamma                71.57(3)
_cell_formula_units_Z            2
_cell_length_a                   12.577(3)
_cell_length_b                   15.503(3)
_cell_length_c                   20.319(4)
_cell_measurement_temperature    150(2)
_cell_volume                     3571.7(12)
_diffrn_ambient_temperature      150(2)
_exptl_crystal_density_diffrn    1.150
_cod_database_code               4062650
; Organometallics  (2004) –; doi:10.1021/om034396+

data_4062651
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om034396+
_journal_year                    2004
_chemical_formula_sum            'C39 H80 K2 O12 Si5'
_chemical_formula_weight         959.68
_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                   20.389(4)
_cell_length_b                   35.761(7)
_cell_length_c                   15.244(3)
_cell_measurement_temperature    200(2)
_cell_volume                     11115(4)
_diffrn_ambient_temperature      200(2)
_exptl_crystal_density_diffrn    1.147
_cod_database_code               4062651
Cleavage of Conjugated Alkenes by Cationic Osmium Nitrides: Scope of the Reaction and Dynamics of the Azaallenium Products
Maestri, Aaron G.; Taylor, Scheroi D.; Schuck, Stephany M.; Brown, Seth N.; Organometallics 23 (2004) 1932–1946; doi:10.1021/om034404m

data_4062652
_publ_section_title
;
Cleavage of Conjugated Alkenes by Cationic Osmium Nitrides: 
Scope of the Reaction and Dynamics of the Azaallenium Products
;
_journal_issue                   8
_journal_name_full               Organometallics
_journal_page_first              1932
_journal_page_last               1946
_journal_paper_doi               10.1021/om034404m
_journal_volume                  23
_journal_year                    2004
_chemical_formula_moiety
'cis-[(terpy)OsCl2(1,2-eta-2-PhCH=N=CHCH=CHCH=CHPh)]PF6 . (CD3)2CO'
_chemical_formula_sum            'C36 H27 Cl2 D6 F6 N4 O Os P'
_chemical_formula_weight         949.73
_chemical_name_common
;
cis-[dichloro(terpyridine)(1,2-eta-2-2-aza-1,7-diphenylhepta-1,2,4,6-tetraenium
hexafluorophosphate deuteroacetone solvate
;
_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                94.154(6)
_cell_angle_beta                 113.610(7)
_cell_angle_gamma                111.576(7)
_cell_formula_units_Z            2
_cell_length_a                   11.7391(12)
_cell_length_b                   13.2219(10)
_cell_length_c                   14.1111(12)
_cell_measurement_temperature    293(2)
_cell_volume                     1803.2(3)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.749
_refine_ls_R_factor_obs          0.0342
_refine_ls_wR_factor_obs         0.0715
_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        'C36 H27 D6 Cl2 F6 N4 O Os P'
_cod_database_code               4062652
; Organometallics  (2004) –; doi:10.1021/om034408r

data_4062653
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om034408r
_journal_year                    2004
_chemical_formula_moiety         'C96 H104 N4 O18 Ti4'
_chemical_formula_sum            'C96 H104 N4 O18 Ti4'
_chemical_formula_weight         1793.43
_space_group_IT_number           19
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'P 2ac 2ab'
_symmetry_space_group_name_H-M   'P 21 21 21'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   13.465(5)
_cell_length_b                   27.531(10)
_cell_length_c                   29.197(10)
_cell_measurement_temperature    293(2)
_cell_volume                     10823(7)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.101
_cod_database_code               4062653
; Organometallics  (2004) –; doi:10.1021/om040015w

data_4062654
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om040015w
_journal_year                    2004
_chemical_formula_sum            'C95.5 H110 Al8 Fe6 N2'
_chemical_formula_weight         1836.80
_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                91.414(3)
_cell_angle_beta                 96.971(3)
_cell_angle_gamma                113.825(3)
_cell_formula_units_Z            2
_cell_length_a                   12.7085(5)
_cell_length_b                   14.8859(6)
_cell_length_c                   25.9940(10)
_cell_measurement_temperature    133(2)
_cell_volume                     4450.4(3)
_diffrn_ambient_temperature      133(2)
_exptl_crystal_density_diffrn    1.371
_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        'C95.50 H110 Al8 Fe6 N2'
_cod_database_code               4062654
'Synthesis, NMR, and X-ray Molecular Structure of a Novel Butadiensulfinate Iridium Dimer and its transformation into Mononuclear Cp*IrCl[(1,2,5-η)SO^2^CH=CRCH=CHR]Complex'
Prócoro Gamero-Melo; Marisol Cervantes Vásquez; Armando Ramírez Monroy; M. Esther Sánchez Castro; Organometallics  (2004) –; doi:10.1021/om040021s

data_4062655
_publ_section_title
;
'Synthesis, NMR, and X-ray Molecular Structure of a Novel Butadiensulfinate
Iridium Dimer and its transformation into Mononuclear
Cp*IrCl[(1,2,5-\h)SO^2^CH=CRCH=CHR]Complex'
;
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om040021s
_journal_year                    2004
_chemical_formula_sum            'C20 H32 Cl2 Ir Li O3 S'
_chemical_formula_weight         622.56
_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                 103.2310(1)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   12.5492(3)
_cell_length_b                   15.3825(4)
_cell_length_c                   12.9700(4)
_cell_measurement_temperature    203
_cell_volume                     2437.24(11)
_diffrn_ambient_temperature      203
_exptl_crystal_density_diffrn    1.697
_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               4062655
'Synthesis, NMR, and X-ray Molecular Structure of a Novel Butadiensulfinate Iridium Dimer and its transformation into Mononuclear Cp*IrCl[(1,2,5-η)SO^2^CH=CRCH=CHR]Complex'
Prócoro Gamero-Melo; Marisol Cervantes Vásquez; Armando Ramírez Monroy; M. Esther Sánchez Castro; Organometallics  (2004) –; doi:10.1021/om040021s

data_4062656
_publ_section_title
;
'Synthesis, NMR, and X-ray Molecular Structure of a Novel Butadiensulfinate
Iridium Dimer and its transformation into Mononuclear
Cp*IrCl[(1,2,5-\h)SO^2^CH=CRCH=CHR]Complex'
;
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om040021s
_journal_year                    2004
_chemical_formula_sum            'C18 H28 Cl2 Ir Li O3 S'
_chemical_formula_weight         594.50
_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                 90.674(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   8.3875(3)
_cell_length_b                   14.7045(5)
_cell_length_c                   18.0380(7)
_cell_measurement_temperature    293(2)
_cell_volume                     2224.54(14)
_diffrn_ambient_temperature      203
_exptl_crystal_density_diffrn    1.775
_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               4062656
Arylation of palladium(II) and platinum(II) by diphenyliodonium triflate to form metal(IV) species, and a structural analysis of PtIMe2Ph(bpy) (bpy= 2,2'-bipyridine).
Bayler, Angela; Canty, Allan J.; Ryan, John H.; Skelton, Brian W.; White, Allan H.; Organometallics  (2004) –; doi:10.1021/om040023c

data_4062657
_publ_section_title
;
Arylation of palladium(II) and platinum(II) by diphenyliodonium
triflate to form metal(IV) species, and a structural analysis of
PtIMe2Ph(bpy) (bpy= 2,2'-bipyridine).
;
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om040023c
_journal_year                    2004
_chemical_formula_moiety         'C18 H19 I1 N2 Pt1'
_chemical_formula_sum            'C18 H19 I N2 Pt'
_chemical_formula_weight         585.35
_space_group_crystal_system      orthorhombic
_space_group_IT_number           61
_space_group_name_Hall           '-P 2ac 2ab'
_space_group_name_H-M_alt        'P b c a'
_cell_angle_alpha                90.00000
_cell_angle_beta                 90.00000
_cell_angle_gamma                90.00000
_cell_formula_units_Z            8
_cell_length_a                   12.1670(10)
_cell_length_b                   15.956(2)
_cell_length_c                   18.452(2)
_cell_measurement_temperature    150(2)
_cell_volume                     3582.2(7)
_exptl_crystal_density_diffrn    2.171
_cod_depositor_comments
;
 Updating space group information.

 Antanas Vaitkus,
 2018-06-08
;
_cod_original_formula_sum        'C18 H19 I1 N2 Pt1'
_cod_database_code               4062657
Arylation of palladium(II) and platinum(II) by diphenyliodonium triflate to form metal(IV) species, and a structural analysis of PtIMe2Ph(bpy) (bpy= 2,2'-bipyridine).
Bayler, Angela; Canty, Allan J.; Ryan, John H.; Skelton, Brian W.; White, Allan H.; Organometallics  (2004) –; doi:10.1021/om040023c

data_4062658
_publ_section_title
;
Arylation of palladium(II) and platinum(II) by diphenyliodonium
triflate to form metal(IV) species, and a structural analysis of
PtIMe2Ph(bpy) (bpy= 2,2'-bipyridine).
;
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om040023c
_journal_year                    2004
_chemical_formula_moiety         'C20 H21 I1 N2 Pt1'
_chemical_formula_sum            'C20 H21 I N2 Pt'
_chemical_formula_weight         611.39
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_cell_angle_alpha                81.391(6)
_cell_angle_beta                 77.544(6)
_cell_angle_gamma                70.468(6)
_cell_formula_units_Z            2
_cell_length_a                   8.650(3)
_cell_length_b                   8.882(3)
_cell_length_c                   12.886(4)
_cell_measurement_temperature    150(2)
_cell_volume                     907.8(5)
_exptl_crystal_density_diffrn    2.237
_cod_original_formula_sum        'C20 H21 I1 N2 Pt1'
_cod_database_code               4062658
Arylation of palladium(II) and platinum(II) by diphenyliodonium triflate to form metal(IV) species, and a structural analysis of PtIMe2Ph(bpy) (bpy= 2,2'-bipyridine).
Bayler, Angela; Canty, Allan J.; Ryan, John H.; Skelton, Brian W.; White, Allan H.; Organometallics  (2004) –; doi:10.1021/om040023c

data_4062659
_publ_section_title
;
Arylation of palladium(II) and platinum(II) by diphenyliodonium
triflate to form metal(IV) species, and a structural analysis of
PtIMe2Ph(bpy) (bpy= 2,2'-bipyridine).
;
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om040023c
_journal_year                    2004
_chemical_formula_moiety         'C12 H9 I2, C F3 O3 S1'
_chemical_formula_sum            'C13 H9 F3 I2 O3 S'
_chemical_formula_weight         556.08
_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                90.00000
_cell_angle_beta                 95.671(2)
_cell_angle_gamma                90.00000
_cell_formula_units_Z            8
_cell_length_a                   9.8845(8)
_cell_length_b                   14.8976(10)
_cell_length_c                   22.312(2)
_cell_measurement_temperature    150(2)
_cell_volume                     3269.5(5)
_exptl_crystal_density_diffrn    2.259
_cod_original_sg_symbol_Hall     -p_2yn
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_original_formula_sum        'C13 H9 F3 I2 O3 S1'
_cod_database_code               4062659
Synthesis and Structure of Neutral and Cationic Aluminium Complexes Incorporating Bis-Oxazolinato Ligands.
Dagorne Samuel; Bellemin-Laponnaz Stephane; Welter Richard; Organometallics  (2004) –; doi:10.1021/om0400245

data_4062660
_publ_section_title
;
Synthesis and Structure of Neutral and Cationic Aluminium
Complexes Incorporating Bis-Oxazolinato Ligands.
;
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om0400245
_journal_year                    2004
_chemical_formula_moiety         'C16 H29 Al N2 O2'
_chemical_formula_sum            'C16 H29 Al N2 O2'
_chemical_formula_weight         308.39
_space_group_IT_number           19
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'P 2ac 2ab'
_symmetry_space_group_name_H-M   'P 21 21 21'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   12.4620(10)
_cell_length_b                   16.8960(10)
_cell_length_c                   17.5010(10)
_cell_measurement_temperature    173(2)
_cell_volume                     3685.0(4)
_diffrn_ambient_temperature      173(2)
_exptl_crystal_density_diffrn    1.112
_cod_database_code               4062660
Synthesis and Structure of Neutral and Cationic Aluminium Complexes Incorporating Bis-Oxazolinato Ligands.
Dagorne Samuel; Bellemin-Laponnaz Stephane; Welter Richard; Organometallics  (2004) –; doi:10.1021/om0400245

data_4062661
_publ_section_title
;
Synthesis and Structure of Neutral and Cationic Aluminium
Complexes Incorporating Bis-Oxazolinato Ligands.
;
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om0400245
_journal_year                    2004
_chemical_formula_moiety         'C12 H19 Al Cl2 N2 O2'
_chemical_formula_sum            'C12 H19 Al Cl2 N2 O2'
_chemical_formula_weight         321.17
_space_group_IT_number           33
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'P -2n 2a'
_symmetry_space_group_name_H-M   'P 21 c n'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   8.5280(10)
_cell_length_b                   10.1900(10)
_cell_length_c                   18.0870(10)
_cell_measurement_temperature    173(2)
_cell_volume                     1571.8(3)
_diffrn_ambient_temperature      173(2)
_exptl_crystal_density_diffrn    1.357
_cod_original_sg_symbol_H-M      'P n a 21'
_cod_database_code               4062661
Synthesis and Structure of Neutral and Cationic Aluminium Complexes Incorporating Bis-Oxazolinato Ligands.
Dagorne Samuel; Bellemin-Laponnaz Stephane; Welter Richard; Organometallics  (2004) –; doi:10.1021/om0400245

data_4062662
_publ_section_title
;
Synthesis and Structure of Neutral and Cationic Aluminium
Complexes Incorporating Bis-Oxazolinato Ligands.
;
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om0400245
_journal_year                    2004
_chemical_formula_moiety         'C21 H33 Al N3 O2, C19 H3 B F15'
_chemical_formula_sum            'C40 H36 Al B F15 N3 O2'
_chemical_formula_weight         913.51
_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                89.25(5)
_cell_angle_beta                 89.68(5)
_cell_angle_gamma                89.30(5)
_cell_formula_units_Z            4
_cell_length_a                   13.349(5)
_cell_length_b                   16.348(5)
_cell_length_c                   18.623(5)
_cell_measurement_temperature    173(2)
_cell_volume                     4063(2)
_diffrn_ambient_temperature      173(2)
_exptl_crystal_density_diffrn    1.493
_cod_database_code               4062662
Synthesis and Structure of Neutral and Cationic Aluminium Complexes Incorporating Bis-Oxazolinato Ligands.
Dagorne Samuel; Bellemin-Laponnaz Stephane; Welter Richard; Organometallics  (2004) –; doi:10.1021/om0400245

data_4062663
_publ_section_title
;
Synthesis and Structure of Neutral and Cationic Aluminium
Complexes Incorporating Bis-Oxazolinato Ligands.
;
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om0400245
_journal_year                    2004
_chemical_formula_moiety         'C13 H18 Al F N2 O2, B C24 F20'
_chemical_formula_sum            'C37 H18 Al B F21 N2 O2'
_chemical_formula_weight         959.32
_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                 98.21(5)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   12.8420(10)
_cell_length_b                   19.392(2)
_cell_length_c                   15.7860(10)
_cell_measurement_temperature    173(2)
_cell_volume                     3890.9(6)
_diffrn_ambient_temperature      173(2)
_exptl_crystal_density_diffrn    1.638
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               4062663
; Organometallics  (2004) –; doi:10.1021/om0400301

data_4062664
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om0400301
_journal_year                    2004
_chemical_formula_sum            'C26 H35 N O10 Os3 Sn'
_chemical_formula_weight         1210.84
_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                 114.094(8)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   38.345(13)
_cell_length_b                   11.269(4)
_cell_length_c                   17.707(6)
_cell_measurement_temperature    293(2)
_cell_volume                     6985(4)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    2.303
_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               4062664
; Organometallics  (2004) –; doi:10.1021/om0400301

data_4062665
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om0400301
_journal_year                    2004
_chemical_formula_sum            'C27 H39 N O10 Os3 Sn'
_chemical_formula_weight         1226.88
_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                 93.850(1)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   17.794(1)
_cell_length_b                   11.656(1)
_cell_length_c                   17.483(1)
_cell_measurement_temperature    293(2)
_cell_volume                     3617.9(4)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    2.252
_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               4062665