LMucko/crystallography-open-database huggingface dataset:
; Organometallics  (2005) –; doi:10.1021/om0505561

data_4061696
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om0505561
_journal_year                    2005
_chemical_formula_sum            'C25 H46 P2 Pd'
_chemical_formula_weight         514.96
_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                   11.156(2)
_cell_length_b                   15.780(3)
_cell_length_c                   30.671(6)
_cell_measurement_temperature    293(2)
_cell_volume                     5399.7(19)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.267
_cod_database_code               4061696
; Organometallics  (2005) –; doi:10.1021/om0505561

data_4061697
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om0505561
_journal_year                    2005
_chemical_formula_sum            'C26 H46 O2 P2 Pd'
_chemical_formula_weight         558.97
_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                 101.951(5)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   21.0355(14)
_cell_length_b                   12.5322(7)
_cell_length_c                   10.9438(6)
_cell_measurement_temperature    293(2)
_cell_volume                     2822.5(3)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.315
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               4061697
; Organometallics  (2005) –; doi:10.1021/om050560c

data_4061698
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om050560c
_journal_year                    2005
_chemical_formula_sum            'C32 H36 O3 S'
_chemical_formula_weight         500.67
_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                 99.614(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   13.0192(11)
_cell_length_b                   12.2471(10)
_cell_length_c                   17.7002(15)
_cell_measurement_temperature    297(2)
_cell_volume                     2782.6(4)
_diffrn_ambient_temperature      297(2)
_exptl_crystal_density_diffrn    1.195
_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               4061698
; Organometallics  (2005) –; doi:10.1021/om050560c

data_4061699
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om050560c
_journal_year                    2005
_chemical_formula_sum            'C38 H50 O2 S Si2'
_chemical_formula_weight         627.02
_space_group_IT_number           5
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  'C 2y'
_symmetry_space_group_name_H-M   'C 1 2 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 110.821(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   22.6920(10)
_cell_length_b                   8.3884(5)
_cell_length_c                   20.4110(10)
_cell_measurement_temperature    110(1)
_cell_volume                     3631.5(3)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.147
_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 

2022-02-21
Z value and formula fixed to values more according to usual
chemical conventions.                 miguel
;
_cod_original_formula_sum            'C76 H100 O4 S2 Si4'
_cod_original_formula_weight         1254.04
_cod_original_formula_units_Z            2
_cod_original_sg_symbol_H-M      'C 2'
_cod_database_code               4061699
Carpentier; Lehmann; Organometallics  (2005) –; doi:10.1021/om050560c

data_4061700
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om050560c
_journal_year                    2005
_chemical_formula_moiety         'C16 H34 O4 S Zr'
_chemical_formula_sum            'C16 H34 O4 S Zr'
_chemical_formula_weight         413.71
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                81.6410(10)
_cell_angle_beta                 77.779(2)
_cell_angle_gamma                84.072(2)
_cell_formula_units_Z            8
_cell_length_a                   10.3427(3)
_cell_length_b                   19.0944(6)
_cell_length_c                   21.5341(7)
_cell_measurement_temperature    100
_cell_volume                     4100.6(2)
_diffrn_ambient_temperature      100
_exptl_crystal_density_diffrn    1.340
_cod_depositor_comments
;
The following automatic conversions were performed:
'_geom_bond_publ_flag' value 'N' changed to 'n' according to
'/home/saulius/struct/CIF-dictionaries/cif_core.dic' dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29 (144 times).

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_database_code               4061700
Carpentier; Lehmann; Organometallics  (2005) –; doi:10.1021/om050560c

data_4061701
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om050560c
_journal_year                    2005
_chemical_formula_sum            'C16 H32 O4 S2 Ti'
_chemical_formula_weight         400.44
_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                 94.447(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   17.7180(10)
_cell_length_b                   12.1940(10)
_cell_length_c                   9.6110(10)
_cell_measurement_temperature    120(1)
_cell_volume                     2070.2(3)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.285
_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               4061701
Carpentier; Lehmann; Organometallics  (2005) –; doi:10.1021/om050560c

data_4061702
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om050560c
_journal_year                    2005
_chemical_formula_sum            'C16 H32 Cl2 O4 S Zr'
_chemical_formula_weight         482.60
_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                 101.9900(7)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   10.2494(2)
_cell_length_b                   10.8080(2)
_cell_length_c                   20.4758(3)
_cell_measurement_temperature    120(1)
_cell_volume                     2218.73(7)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.445
_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               4061702
Carpentier; Lehmann; Organometallics  (2005) –; doi:10.1021/om050560c

data_4061703
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om050560c
_journal_year                    2005
_chemical_formula_sum            'C16 H32 Cl2 O4 S Ti'
_chemical_formula_weight         439.28
_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                 101.9380(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   10.0684(2)
_cell_length_b                   10.7817(2)
_cell_length_c                   20.2383(4)
_cell_measurement_temperature    293(2)
_cell_volume                     2149.44(7)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.357
_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               4061703
; Organometallics  (2005) –; doi:10.1021/om050564h

data_4061704
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om050564h
_journal_year                    2005
_chemical_formula_moiety         'C21 H31 Mo O2 P'
_chemical_formula_sum            'C21 H31 Mo O2 P'
_chemical_formula_weight         442.39
_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                 100.9050
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.1824
_cell_length_b                   15.6184
_cell_length_c                   15.8615
_cell_volume                     1990.43
_exptl_crystal_density_diffrn    1.476
_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               4061704
; Organometallics  (2005) –; doi:10.1021/om050564h

data_4061705
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om050564h
_journal_year                    2005
_chemical_formula_moiety         'C21 H19 Mo O2 P, C7 H8'
_chemical_formula_sum            'C28 H27 Mo O2 P'
_chemical_formula_weight         522.43
_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                97.0680
_cell_angle_beta                 94.4620
_cell_angle_gamma                111.5950
_cell_formula_units_Z            2
_cell_length_a                   9.0759
_cell_length_b                   9.9457
_cell_length_c                   14.4733
_cell_volume                     1194.74
_exptl_crystal_density_diffrn    1.452
_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               4061705
; Organometallics  (2005) –; doi:10.1021/om050564h

data_4061706
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om050564h
_journal_year                    2005
_chemical_formula_moiety         'C17 H27 Mo O2 P'
_chemical_formula_sum            'C17 H27 Mo O2 P'
_chemical_formula_weight         390.31
_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
_cell_angle_beta                 98.9450
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.1852
_cell_length_b                   14.5617
_cell_length_c                   13.3575
_cell_volume                     1764.87
_exptl_crystal_density_diffrn    1.469
_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               4061706
; Organometallics  (2005) –; doi:10.1021/om0505662

data_4061707
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om0505662
_journal_year                    2005
_chemical_formula_sum            'C38 H33 Cl2 O P3 Pd'
_chemical_formula_weight         775.85
_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                   8.2326(8)
_cell_length_b                   20.152(2)
_cell_length_c                   20.929(2)
_cell_measurement_temperature    295(2)
_cell_volume                     3472.3(6)
_diffrn_ambient_temperature      295(2)
_exptl_crystal_density_diffrn    1.484
_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               4061707
Dyson, Paul J.; Geldbach, Tilmann J.; Chaplin, Adrian B.; Hänni, Kevin D.; Scopelliti, Rosario; Organometallics  (2005) –; doi:10.1021/om050568m

data_4061708
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om050568m
_journal_year                    2005
_chemical_formula_sum            'C44 H32 O2 P2'
_chemical_formula_weight         654.64
_space_group_IT_number           5
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  'I 2y'
_symmetry_space_group_name_H-M   'I 1 2 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.954(7)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   12.3895(10)
_cell_length_b                   10.1181(6)
_cell_length_c                   13.7513(12)
_cell_measurement_temperature    140(2)
_cell_volume                     1723.6(2)
_exptl_crystal_density_diffrn    1.261
_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      'I 2'
_cod_database_code               4061708
Dyson, Paul J.; Geldbach, Tilmann J.; Chaplin, Adrian B.; Hänni, Kevin D.; Scopelliti, Rosario; Organometallics  (2005) –; doi:10.1021/om050568m

data_4061709
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om050568m
_journal_year                    2005
_chemical_formula_sum            'C72 H60 Cl4 O4 P2 Ru2'
_chemical_formula_weight         1395.07
_space_group_IT_number           18
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'P 2 2ab'
_symmetry_space_group_name_H-M   'P 21 21 2'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   13.776(2)
_cell_length_b                   21.201(2)
_cell_length_c                   10.7958(18)
_cell_measurement_temperature    140(2)
_cell_volume                     3153.0(8)
_diffrn_ambient_temperature      140(2)
_exptl_crystal_density_diffrn    1.469
_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 

2021-04-11
Z value and formula fixed to values more according to usual
chemical conventions.                 miguel
;
_cod_original_formula_sum            'C48 H40 Cl2.67 O2.67 P1.33 Ru1.33'
_cod_original_formula_weight         930.05
_cod_original_formula_units_Z            3
_cod_database_code               4061709
Dyson, Paul J.; Geldbach, Tilmann J.; Chaplin, Adrian B.; Hänni, Kevin D.; Scopelliti, Rosario; Organometallics  (2005) –; doi:10.1021/om050568m

data_4061710
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om050568m
_journal_year                    2005
_chemical_formula_sum            'C55 H50 B Cl5 O2 P2 Ru'
_chemical_formula_weight         1094.02
_space_group_IT_number           1
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  'P 1'
_symmetry_space_group_name_H-M   'P 1'
_cell_angle_alpha                99.160(10)
_cell_angle_beta                 99.000(7)
_cell_angle_gamma                117.294(9)
_cell_formula_units_Z            1
_cell_length_a                   9.9885(9)
_cell_length_b                   10.8157(13)
_cell_length_c                   13.5361(10)
_cell_measurement_temperature    140(2)
_cell_volume                     1238.3(2)
_exptl_crystal_density_diffrn    1.467
_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               4061710
Dyson, Paul J.; Geldbach, Tilmann J.; Chaplin, Adrian B.; Hänni, Kevin D.; Scopelliti, Rosario; Organometallics  (2005) –; doi:10.1021/om050568m

data_4061711
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om050568m
_journal_year                    2005
_chemical_formula_sum            'C55 H48 Cl3 F6 O2 P3 Ru'
_chemical_formula_weight         1155.26
_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                   13.4669(15)
_cell_length_b                   14.7201(17)
_cell_length_c                   25.264(2)
_cell_measurement_temperature    140(2)
_cell_volume                     5008.2(9)
_diffrn_ambient_temperature      140(2)
_exptl_crystal_density_diffrn    1.532
_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               4061711
; Organometallics  (2005) –; doi:10.1021/om050572y

data_4061712
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om050572y
_journal_year                    2005
_chemical_formula_moiety         tBu3B
_chemical_formula_sum            'C12 H27 B'
_chemical_formula_weight         182.15
_space_group_IT_number           176
_symmetry_cell_setting           hexagonal
_symmetry_Int_Tables_number      176
_symmetry_space_group_name_Hall  '-P 6c'
_symmetry_space_group_name_H-M   'P 63/m'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                120.00
_cell_formula_units_Z            2
_cell_length_a                   8.5187(8)
_cell_length_b                   8.5187(8)
_cell_length_c                   10.819(2)
_cell_measurement_temperature    210(2)
_cell_volume                     679.93(15)
_diffrn_ambient_temperature      210(2)
_exptl_crystal_density_diffrn    0.890
_cod_database_code               4061712
; Organometallics  (2005) –; doi:10.1021/om050572y

data_4061713
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om050572y
_journal_year                    2005
_chemical_formula_moiety         tBu3Al
_chemical_formula_sum            'C12 H27 Al'
_chemical_formula_weight         198.32
_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                 120.342(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   17.762(3)
_cell_length_b                   10.1219(17)
_cell_length_c                   17.929(3)
_cell_measurement_temperature    150(2)
_cell_volume                     2781.9(8)
_diffrn_ambient_temperature      150(2)
_exptl_crystal_density_diffrn    0.947
_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               4061713