LMucko/crystallography-open-database huggingface dataset:
; Organometallics  (2004) –; doi:10.1021/om0400301

data_4062666
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om0400301
_journal_year                    2004
_chemical_formula_sum            'C15 H17 N O10 Os3 Sn'
_chemical_formula_weight         1060.59
_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                83.848(1)
_cell_angle_beta                 84.707(1)
_cell_angle_gamma                77.250(1)
_cell_formula_units_Z            2
_cell_length_a                   9.405(1)
_cell_length_b                   10.557(1)
_cell_length_c                   12.768(1)
_cell_measurement_temperature    293(2)
_cell_volume                     1226.3(2)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    2.872
_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               4062666
; Organometallics  (2004) –; doi:10.1021/om0400301

data_4062667
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om0400301
_journal_year                    2004
_chemical_formula_sum            'C17 H19 N O10 Os3 Sn'
_chemical_formula_weight         1086.62
_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                 101.656(1)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   10.652(1)
_cell_length_b                   17.897(1)
_cell_length_c                   13.304(1)
_cell_measurement_temperature    293(2)
_cell_volume                     2484.0(3)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    2.906
_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               4062667
; Organometallics  (2004) –; doi:10.1021/om0400301

data_4062668
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om0400301
_journal_year                    2004
_chemical_formula_sum            'C18 H21 N O10 Os3 Sn'
_chemical_formula_weight         1100.65
_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                 110.004(1)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   10.717(1)
_cell_length_b                   17.096(1)
_cell_length_c                   15.517(1)
_cell_measurement_temperature    293(2)
_cell_volume                     2671.5(3)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    2.737
_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               4062668
; Organometallics  (2004) –; doi:10.1021/om0400301

data_4062669
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om0400301
_journal_year                    2004
_chemical_formula_sum            'C19 H22 Cl3 N O10 Os3 Sn'
_chemical_formula_weight         1220.02
_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                   14.185(1)
_cell_length_b                   20.369(2)
_cell_length_c                   21.522(2)
_cell_measurement_temperature    293(2)
_cell_volume                     6218.4(9)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    2.606
_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               4062669
; Organometallics  (2004) –; doi:10.1021/om0400301

data_4062670
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om0400301
_journal_year                    2004
_chemical_formula_sum            'C17 H19 N O11 Os3 Sn'
_chemical_formula_weight         1102.62
_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                104.043(1)
_cell_angle_beta                 107.687(1)
_cell_angle_gamma                95.052(1)
_cell_formula_units_Z            2
_cell_length_a                   10.417(1)
_cell_length_b                   11.093(1)
_cell_length_c                   12.765(1)
_cell_measurement_temperature    293(2)
_cell_volume                     1342.3(2)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    2.728
_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               4062670
Base-Assisted Cyclometallation and Phosphorus-Carbon Bond Cleavage in (Arene)ruthenium(II) Complexes Containing Functionalized Iminophosphorane-Phosphine Ligands Ph2PCH2P{=NP(=X)(OR)2}Ph2 (X = O, S; R = Et, Ph)
Cadierno, Victorio; Díez, Josefina; García-Álvarez, Joaquín; Gimeno, José; Organometallics 23 (2004) 3425–3436; doi:10.1021/om040033d

data_4062671
_publ_section_title
;
Base-Assisted Cyclometallation and Phosphorus-Carbon Bond Cleavage in
 (Arene)ruthenium(II) Complexes Containing Functionalized
 Iminophosphorane-Phosphine Ligands Ph2PCH2P{=NP(=X)(OR)2}Ph2
 (X = O, S; R = Et, Ph)
;
_journal_issue                   14
_journal_name_full               Organometallics
_journal_page_first              3425
_journal_page_last               3436
_journal_paper_doi               10.1021/om040033d
_journal_volume                  23
_journal_year                    2004
_chemical_formula_moiety         'C47 H45 Cl N O3 P3 Ru'
_chemical_formula_sum            'C47 H45 Cl N O3 P3 Ru'
_chemical_formula_weight         901.27
_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                84.595(3)
_cell_angle_beta                 76.211(2)
_cell_angle_gamma                82.998(3)
_cell_formula_units_Z            2
_cell_length_a                   10.3434(5)
_cell_length_b                   12.6084(7)
_cell_length_c                   16.4528(9)
_cell_measurement_temperature    120(2)
_cell_volume                     2063.56(19)
_diffrn_ambient_temperature      120(2)
_exptl_crystal_density_diffrn    1.450
_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               4062671
Base-Assisted Cyclometallation and Phosphorus-Carbon Bond Cleavage in (Arene)ruthenium(II) Complexes Containing Functionalized Iminophosphorane-Phosphine Ligands Ph2PCH2P{=NP(=X)(OR)2}Ph2 (X = O, S; R = Et, Ph)
Cadierno, Victorio; Díez, Josefina; García-Álvarez, Joaquín; Gimeno, José; Organometallics 23 (2004) 3425–3436; doi:10.1021/om040033d

data_4062672
_publ_section_title
;
Base-Assisted Cyclometallation and Phosphorus-Carbon Bond Cleavage in
 (Arene)ruthenium(II) Complexes Containing Functionalized
 Iminophosphorane-Phosphine Ligands Ph2PCH2P{=NP(=X)(OR)2}Ph2
 (X = O, S; R = Et, Ph)
;
_journal_issue                   14
_journal_name_full               Organometallics
_journal_page_first              3425
_journal_page_last               3436
_journal_paper_doi               10.1021/om040033d
_journal_volume                  23
_journal_year                    2004
_chemical_formula_moiety         'C35 H38 N O3 P3 Ru S, H2 O'
_chemical_formula_sum            'C35 H40 N O4 P3 Ru S'
_chemical_formula_weight         764.72
_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                69.71(3)
_cell_angle_beta                 87.735(19)
_cell_angle_gamma                69.09(2)
_cell_formula_units_Z            2
_cell_length_a                   10.859(4)
_cell_length_b                   12.174(2)
_cell_length_c                   15.189(4)
_cell_measurement_temperature    293(2)
_cell_volume                     1751.2(8)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.450
_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               4062672
Tetrakis(phenylethynyl)tin(IV): a Novel Initiator for the Ring-Opening Polymerization of Lactide
Mohammed Lahcini; Pascal Castro; Mikko Kalmi; Martti Klinga; Markku Leskelä; Timo Repo; Organometallics  (2004) –; doi:10.1021/om0400402

data_4062673
_publ_section_title
;
 Tetrakis(phenylethynyl)tin(IV): a Novel Initiator for the
 Ring-Opening Polymerization of Lactide
;
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om0400402
_journal_year                    2004
_chemical_formula_moiety         'C32 H20 Sn'
_chemical_formula_sum            'C32 H20 Sn'
_chemical_formula_weight         523.17
_space_group_IT_number           82
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_Hall  'I -4'
_symmetry_space_group_name_H-M   'I -4'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            6
_cell_length_a                   13.689(1)
_cell_length_b                   13.689(1)
_cell_length_c                   20.098(1)
_cell_measurement_temperature    173(2)
_cell_volume                     3766.1(4)
_diffrn_ambient_temperature      173(2)
_exptl_crystal_density_diffrn    1.384
_cod_database_code               4062673
; Organometallics  (2004) –; doi:10.1021/om040046r

data_4062674
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om040046r
_journal_year                    2004
_chemical_formula_moiety         'C20 H11 N O9 S Os3, 0.4 (CCl2)'
_chemical_formula_sum            'C20.4 H11 Cl0.8 N2 O9 Os3 S'
_chemical_formula_weight         1059.13
_space_group_IT_number           13
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yac'
_symmetry_space_group_name_H-M   'P 1 2/n 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 112.684(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   15.0855(13)
_cell_length_b                   9.9703(9)
_cell_length_c                   19.0401(16)
_cell_measurement_temperature    100(2)
_cell_volume                     2642.2(4)
_diffrn_ambient_temperature      100(2)
_exptl_crystal_density_diffrn    2.662
_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 2/n'
_cod_original_formula_sum        'C20.40 H11 Cl0.80 N2 O9 Os3 S'
_cod_database_code               4062674
; Organometallics  (2004) –; doi:10.1021/om040046r

data_4062675
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om040046r
_journal_year                    2004
_chemical_formula_moiety         'C21 H15 N3 O9 Os3'
_chemical_formula_sum            'C21 H15 N3 O9 Os3'
_chemical_formula_weight         1023.96
_space_group_IT_number           173
_symmetry_cell_setting           hexagonal
_symmetry_space_group_name_Hall  'P 6c'
_symmetry_space_group_name_H-M   'P 63'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                120.00
_cell_formula_units_Z            6
_cell_length_a                   18.5450(18)
_cell_length_b                   18.5450(18)
_cell_length_c                   12.621(2)
_cell_measurement_temperature    100(2)
_cell_volume                     3759.1(9)
_diffrn_ambient_temperature      100(2)
_exptl_crystal_density_diffrn    2.714
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Hexagonal' changed to 'hexagonal'
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               4062675
; Organometallics  (2004) –; doi:10.1021/om0400548

data_4062676
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om0400548
_journal_year                    2004
_chemical_formula_sum            'C21 H25 B F3 N7 O6 S W'
_chemical_formula_weight         755.20
_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                 104.087(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   14.2114(17)
_cell_length_b                   14.0071(17)
_cell_length_c                   14.5748(18)
_cell_measurement_temperature    293(2)
_cell_volume                     2814.0(6)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.783
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               4062676
; Organometallics  (2004) –; doi:10.1021/om0400548

data_4062677
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om0400548
_journal_year                    2004
_chemical_formula_sum            'C23 H31 B2 F4 N7 O4 W'
_chemical_formula_weight         751.02
_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                 104.964(12)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   12.013(8)
_cell_length_b                   13.266(9)
_cell_length_c                   19.970(13)
_cell_measurement_temperature    293(2)
_cell_volume                     3075(3)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.622
_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               4062677
; Organometallics  (2004) –; doi:10.1021/om0400548

data_4062678
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om0400548
_journal_year                    2004
_chemical_formula_sum            'C22 H27 B F3 N7 O6 S W'
_chemical_formula_weight         769.23
_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                 106.6300(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   14.6582(7)
_cell_length_b                   13.8294(6)
_cell_length_c                   15.0128(7)
_cell_measurement_temperature    293(2)
_cell_volume                     2916.0(2)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.752
_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               4062678
; Organometallics  (2004) –; doi:10.1021/om0400595

data_4062679
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om0400595
_journal_year                    2004
_chemical_formula_sum            'C18 H18 I Mo O3 P Pd'
_chemical_formula_weight         642.53
_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
_cell_angle_beta                 104.06(3)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   12.216(3)
_cell_length_b                   9.4250(10)
_cell_length_c                   18.315(7)
_cell_measurement_temperature    0(2)
_cell_volume                     2045.5(10)
_diffrn_ambient_temperature      0(2)
_exptl_crystal_density_diffrn    2.086
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               4062679
Synthesis and Structure of a Four-coordinate Al Alkyl Cation/ HB(C6F5)3 Salt: Application in a B(C6F5)3-catalyzed hydroalumination reaction of benzophenone or benzaldehyde.
Dagorne Samuel; Janowska Izabela; Welter Richard; Jaouen Gerard; Organometallics  (2004) –; doi:10.1021/om0400806

data_4062680
_publ_section_title
;
Synthesis and Structure of a Four-coordinate Al Alkyl
Cation/ HB(C6F5)3 Salt: Application in a B(C6F5)3-catalyzed
hydroalumination reaction of benzophenone or benzaldehyde.
;
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om0400806
_journal_year                    2004
_chemical_formula_moiety         'C41 H48 Al N2 O, H B C18 F15'
_chemical_formula_sum            'C59 H49 Al B F15 N2 O'
_chemical_formula_weight         1124.79
_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                68.61(5)
_cell_angle_beta                 77.52(5)
_cell_angle_gamma                81.59(5)
_cell_formula_units_Z            4
_cell_length_a                   11.4160(10)
_cell_length_b                   21.473(3)
_cell_length_c                   24.265(3)
_cell_measurement_temperature    173(2)
_cell_volume                     5392.9(11)
_diffrn_ambient_temperature      173(2)
_exptl_crystal_density_diffrn    1.385
_cod_original_formula_sum        'C59 H49 Al N2 O B F15'
_cod_database_code               4062680
An Uncommon η^3^-(N,C,C)-1-aza-allyl bonding mode for the nacnac ligand: a bis(β-diketiminato) uranium(III) iodide complex
Robert J. Wright; Philip P. Power; Brian L. Scott; Jaqueline L. Kiplinger; Organometallics  (2004) –; doi:10.1021/om049342u

data_4062681
_publ_section_title
;
An Uncommon \h^3^-(N,C,C)-1-aza-allyl bonding mode
for the nacnac ligand: a bis(\b-diketiminato)
uranium(III) iodide complex
;
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om049342u
_journal_year                    2004
_chemical_formula_sum            'C64 H96 I N4 U'
_chemical_formula_weight         1286.38
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                71.585(4)
_cell_angle_beta                 75.007(5)
_cell_angle_gamma                83.868(4)
_cell_formula_units_Z            2
_cell_length_a                   12.225(3)
_cell_length_b                   14.361(3)
_cell_length_c                   19.449(5)
_cell_measurement_temperature    203(2)
_cell_volume                     3128.3(13)
_diffrn_ambient_temperature      203(2)
_exptl_crystal_density_diffrn    1.366
_cod_database_code               4062681
; Organometallics  (2004) –; doi:10.1021/om049370c

data_4062682
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om049370c
_journal_year                    2004
_chemical_formula_moiety         'C39 H64 Cl2 P2 Ru'
_chemical_formula_sum            'C39 H64 Cl2 P2 Ru'
_chemical_formula_weight         766.81
_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                   9.0223(14)
_cell_length_b                   9.8916(16)
_cell_length_c                   42.043(7)
_cell_measurement_temperature    125(2)
_cell_volume                     3752.1(10)
_diffrn_ambient_temperature      125(2)
_exptl_crystal_density_diffrn    1.357
_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               4062682