LMucko/crystallography-open-database huggingface dataset:
Masaaki Okazaki; Organometallics  (2004) –; doi:10.1021/om049379e

data_4062683
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om049379e
_journal_year                    2004
_chemical_formula_sum            'C29 H51 O2 P3 Ru Si2'
_chemical_formula_weight         681.86
_chemical_name_common            Ru(xantsil)(CO)(PMe3)3
_space_group_IT_number           61
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      61
_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                   17.0553(4)
_cell_length_b                   20.1437(6)
_cell_length_c                   19.2039(6)
_cell_measurement_temperature    150(2)
_cell_volume                     6597.6(3)
_exptl_crystal_density_diffrn    1.373
_cod_database_code               4062683
Masaaki Okazaki; Organometallics  (2004) –; doi:10.1021/om049379e

data_4062684
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om049379e
_journal_year                    2004
_chemical_formula_sum            'C41 H57 Cl2 O4 P Ru Si2'
_chemical_formula_weight         872.99
_chemical_name_common            Ru(xantsil)(CO)3(PCy3)
_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                 101.3523(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   15.9513(5)
_cell_length_b                   10.5822(3)
_cell_length_c                   25.8317(10)
_cell_measurement_temperature    150(2)
_cell_volume                     4275.1(2)
_diffrn_ambient_temperature      150(2)
_exptl_crystal_density_diffrn    1.356
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               4062684
Rudolf Pietschnig; Ferdinand Belaj; Organometallics  (2004) –; doi:10.1021/om049410c

data_4062685
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om049410c
_journal_year                    2004
_chemical_formula_moiety         'C24 H28 O3 Si'
_chemical_formula_sum            'C24 H28 O3 Si'
_chemical_formula_weight         392.55
_chemical_melting_point          451.15
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                67.26(2)
_cell_angle_beta                 74.90(2)
_cell_angle_gamma                69.31(2)
_cell_formula_units_Z            2
_cell_length_a                   9.232(3)
_cell_length_b                   11.013(3)
_cell_length_c                   12.051(3)
_cell_measurement_temperature    95(2)
_cell_volume                     1046.2(5)
_diffrn_ambient_temperature      95(2)
_exptl_crystal_density_diffrn    1.246
_cod_depositor_comments
;
The following automatic conversions were performed:

'_chemical_melting_point' value '178 C' was changed to '451.15' - it
was converted from degrees Celsius(C) to Kelvins(K).

Automatic conversion script
Id: cif_fix_values 1646 2011-03-28 12:23:43Z adriana 
;
_cod_database_code               4062685
; Organometallics  (2004) –; doi:10.1021/om049424i

data_4062686
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om049424i
_journal_year                    2004
_chemical_formula_moiety         'C38 H62 N P2 Re Si2'
_chemical_formula_sum            'C38 H62 N P2 Re Si2'
_chemical_formula_weight         837.21
_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                85.787(2)
_cell_angle_beta                 85.772(2)
_cell_angle_gamma                61.523(2)
_cell_formula_units_Z            2
_cell_length_a                   11.2214(11)
_cell_length_b                   11.2311(11)
_cell_length_c                   18.2964(17)
_cell_measurement_temperature    111(2)
_cell_volume                     2019.4(3)
_diffrn_ambient_temperature      111(2)
_exptl_crystal_density_diffrn    1.377
_cod_database_code               4062686
; Organometallics  (2004) –; doi:10.1021/om049424i

data_4062687
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om049424i
_journal_year                    2004
_chemical_formula_moiety         'C32 H70 N P2 Re Si4'
_chemical_formula_sum            'C32 H70 N P2 Re Si4'
_chemical_formula_weight         829.39
_space_group_IT_number           43
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'F 2 -2d'
_symmetry_space_group_name_H-M   'F d d 2'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   20.6673(9)
_cell_length_b                   36.7765(15)
_cell_length_c                   11.0869(4)
_cell_measurement_temperature    114(2)
_cell_volume                     8426.8(6)
_diffrn_ambient_temperature      114(2)
_exptl_crystal_density_diffrn    1.307
_cod_database_code               4062687
; Organometallics  (2004) –; doi:10.1021/om049435b

data_4062688
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om049435b
_journal_year                    2004
_chemical_formula_moiety         'C30 H58 Cl N P2 Ru Si2, 0.5 C6 H6'
_chemical_formula_sum            'C33 H61 Cl N P2 Ru Si2'
_chemical_formula_weight         726.47
_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                 98.330(14)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   11.591(7)
_cell_length_b                   18.098(10)
_cell_length_c                   35.790(19)
_cell_measurement_temperature    120(2)
_cell_volume                     7429(7)
_diffrn_ambient_temperature      120(2)
_exptl_crystal_density_diffrn    1.299
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               4062688
; Organometallics  (2004) –; doi:10.1021/om049447x

data_4062689
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om049447x
_journal_year                    2004
_chemical_formula_sum            'C32 H69 Cl N2 P4 Ti W'
_chemical_formula_weight         873.01
_space_group_IT_number           2
_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                93.8181(7)
_cell_angle_beta                 104.9733(8)
_cell_angle_gamma                74.3497(9)
_cell_formula_units_Z            4
_cell_length_a                   16.5797(3)
_cell_length_b                   17.8424(3)
_cell_length_c                   14.4307(2)
_cell_measurement_temperature    113.2
_cell_volume                     3971.1(1)
_exptl_crystal_density_diffrn    1.460
_cod_original_formula_sum        'C32 H69 Cl N2 P4 Ti W '
_cod_database_code               4062689
; Organometallics  (2004) –; doi:

data_4062690
_journal_name_full               Organometallics
_journal_year                    2004
_chemical_formula_sum            'C33 H72 N2 P4 Ti W'
_chemical_formula_weight         852.59
_space_group_IT_number           2
_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                93.979(2)
_cell_angle_beta                 105.131(3)
_cell_angle_gamma                74.260(2)
_cell_formula_units_Z            4
_cell_length_a                   16.5426(7)
_cell_length_b                   17.8446(9)
_cell_length_c                   14.4551(8)
_cell_measurement_temperature    93.2
_cell_volume                     3964.7(3)
_exptl_crystal_density_diffrn    1.428
_cod_database_code               4062690
; Organometallics  (2004) –; doi:10.1021/om049453t

data_4062691
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om049453t
_journal_year                    2004
_chemical_absolute_configuration ad
_chemical_formula_moiety
'C32 H38 N Ru2 1+, C18 Cl12 O6 P 1-, C H Cl3, C4 H10 O'
_chemical_formula_sum            'C55 H49 Cl15 N O7 P Ru2'
_chemical_formula_weight         1600.81
_space_group_IT_number           4
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  'P 2yb'
_symmetry_space_group_name_H-M   'P 1 21 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 103.82(1)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   13.057(1)
_cell_length_b                   16.587(2)
_cell_length_c                   15.045(2)
_cell_measurement_temperature    293(2)
_cell_volume                     3164.1(6)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.680
_cod_original_sg_symbol_H-M      'P 21'
_cod_database_code               4062691
; Organometallics  (2004) –; doi:10.1021/om049471a

data_4062692
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om049471a
_journal_year                    2004
_chemical_formula_sum            'C31.75 H29.5 Cl1.5 N2 Ni O2'
_chemical_formula_weight         582.96
_space_group_IT_number           9
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  'C -2yc'
_symmetry_space_group_name_H-M   'C 1 c 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 93.2680(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   14.4104(8)
_cell_length_b                   15.8579(8)
_cell_length_c                   25.1106(14)
_cell_measurement_temperature    295(2)
_cell_volume                     5728.9(5)
_diffrn_ambient_temperature      295(2)
_exptl_crystal_density_diffrn    1.352
_cod_original_sg_symbol_H-M      'C c'
_cod_original_formula_sum        'C31.75 H29.50 Cl1.50 N2 Ni O2'
_cod_database_code               4062692
; Organometallics  (2004) –; doi:10.1021/om049471a

data_4062693
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om049471a
_journal_year                    2004
_chemical_formula_sum            'C26 H26 N2 Ni O'
_chemical_formula_weight         441.20
_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                 105.921(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   12.0319(12)
_cell_length_b                   12.7843(13)
_cell_length_c                   14.4967(15)
_cell_measurement_temperature    295(2)
_cell_volume                     2144.3(4)
_diffrn_ambient_temperature      295(2)
_exptl_crystal_density_diffrn    1.367
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               4062693
Efficient Suzuki-coupling of aryl chlorides catalyzed by Palladium(0) with P,N-heteroligand and isolation of unsaturated intermediates
Weng, Zhiqiang; Teo, Shihui; Koh, Lip Lin; Hor, T. S. Andy; Organometallics  (2004) –; doi:10.1021/om0494770

data_4062694
_publ_section_title
;
 Efficient Suzuki-coupling of aryl chlorides catalyzed by Palladium(0)
with P,N-heteroligand and isolation of unsaturated intermediates
;
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om0494770
_journal_year                    2004
_chemical_formula_sum            'C86 H96 Cl4 Fe2 N2 O2 P2 Pd2'
_chemical_formula_weight         1717.89
_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                 92.943(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   19.8738(19)
_cell_length_b                   19.5297(19)
_cell_length_c                   20.4146(18)
_cell_measurement_temperature    223(2)
_cell_volume                     7913.1(13)
_diffrn_ambient_temperature      223(2)
_exptl_crystal_density_diffrn    1.442
_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               4062694
Efficient Suzuki-coupling of aryl chlorides catalyzed by Palladium(0) with P,N-heteroligand and isolation of unsaturated intermediates
Weng, Zhiqiang; Teo, Shihui; Koh, Lip Lin; Hor, T. S. Andy; Organometallics  (2004) –; doi:10.1021/om0494770

data_4062695
_publ_section_title
;
 Efficient Suzuki-coupling of aryl chlorides catalyzed by Palladium(0)
with P,N-heteroligand and isolation of unsaturated intermediates
;
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om0494770
_journal_year                    2004
_chemical_formula_sum            'C50 H64 Fe2 N2 P2 Pd'
_chemical_formula_weight         973.07
_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                107.168(11)
_cell_angle_beta                 93.342(12)
_cell_angle_gamma                91.761(12)
_cell_formula_units_Z            1
_cell_length_a                   8.304(5)
_cell_length_b                   11.806(7)
_cell_length_c                   12.260(7)
_cell_measurement_temperature    295(2)
_cell_volume                     1145.0(12)
_diffrn_ambient_temperature      295(2)
_exptl_crystal_density_diffrn    1.411
_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               4062695
Efficient Suzuki-coupling of aryl chlorides catalyzed by Palladium(0) with P,N-heteroligand and isolation of unsaturated intermediates
Weng, Zhiqiang; Teo, Shihui; Koh, Lip Lin; Hor, T. S. Andy; Organometallics  (2004) –; doi:10.1021/om0494770

data_4062696
_publ_section_title
;
 Efficient Suzuki-coupling of aryl chlorides catalyzed by Palladium(0)
with P,N-heteroligand and isolation of unsaturated intermediates
;
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om0494770
_journal_year                    2004
_chemical_formula_sum            'C33 H36.5 Cl F5 Fe I N P Pd'
_chemical_formula_weight         897.70
_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                 102.386(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   16.600(2)
_cell_length_b                   11.3938(16)
_cell_length_c                   18.179(3)
_cell_measurement_temperature    223(2)
_cell_volume                     3358.3(8)
_diffrn_ambient_temperature      223(2)
_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/c'
_cod_original_formula_sum        'C33 H36.50 Cl F5 Fe I N P Pd'
_cod_database_code               4062696
Danopoulos, Andreas A.; Wright, Joseph A.; Motherwell, William B.; Ellwood, Simon; Organometallics  (2004) –; doi:10.1021/om049489l

data_4062697
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om049489l
_journal_year                    2004
_chemical_formula_moiety         'C40 H46 Co N6, 2(C4 H8 O), 2(C F3 O3 S)'
_chemical_formula_sum            'C50 H62 Co F6 N6 O8 S2'
_chemical_formula_weight         1112.11
_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                 98.507(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   14.351(3)
_cell_length_b                   17.219(4)
_cell_length_c                   22.515(5)
_cell_measurement_temperature    120(2)
_cell_volume                     5503(2)
_diffrn_ambient_temperature      120(2)
_exptl_crystal_density_diffrn    1.342
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               4062697
Danopoulos, Andreas A.; Wright, Joseph A.; Motherwell, William B.; Ellwood, Simon; Organometallics  (2004) –; doi:10.1021/om049489l

data_4062698
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om049489l
_journal_year                    2004
_chemical_formula_moiety         'C35 H41 Br Co N5'
_chemical_formula_sum            'C35 H41 Br Co N5'
_chemical_formula_weight         670.57
_space_group_IT_number           114
_space_group_name_Hall           'P -4 2n'
_space_group_name_H-M_alt        'P -4 21 c'
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_Hall  'P -4 2n'
_symmetry_space_group_name_H-M   'P -4 21 c'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   20.2600(7)
_cell_length_b                   20.2600(7)
_cell_length_c                   16.5838(7)
_cell_measurement_temperature    120(2)
_cell_volume                     6807.1(4)
_diffrn_ambient_temperature      120(2)
_exptl_crystal_density_diffrn    1.309
_cod_database_code               4062698
Danopoulos, Andreas A.; Wright, Joseph A.; Motherwell, William B.; Ellwood, Simon; Organometallics  (2004) –; doi:10.1021/om049489l

data_4062699
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om049489l
_journal_year                    2004
_chemical_formula_moiety         'C36 H44 Co N5'
_chemical_formula_sum            'C36 H44 Co N5'
_chemical_formula_weight         605.69
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                87.348(3)
_cell_angle_beta                 82.073(5)
_cell_angle_gamma                71.898(4)
_cell_formula_units_Z            2
_cell_length_a                   8.5799(6)
_cell_length_b                   11.7006(10)
_cell_length_c                   16.6014(15)
_cell_measurement_temperature    120(2)
_cell_volume                     1569.0(2)
_diffrn_ambient_temperature      120(2)
_exptl_crystal_density_diffrn    1.282
_cod_database_code               4062699
Danopoulos, Andreas A.; Wright, Joseph A.; Motherwell, William B.; Ellwood, Simon; Organometallics  (2004) –; doi:10.1021/om049489l

data_4062700
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om049489l
_journal_year                    2004
_chemical_formula_moiety         'C35 H41 Br3 Co N5, C4 H8 O'
_chemical_formula_sum            'C39 H49 Br3 Co N5 O'
_chemical_formula_weight         902.49
_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                 95.138(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   10.8474(13)
_cell_length_b                   18.896(2)
_cell_length_c                   18.483(2)
_cell_measurement_temperature    120(2)
_cell_volume                     3773.2(7)
_diffrn_ambient_temperature      120(2)
_exptl_crystal_density_diffrn    1.589
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               4062700
; Organometallics  (2004) –; doi:10.1021/om049495h

data_4062701
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om049495h
_journal_year                    2004
_chemical_formula_sum            'C14 H22 Br N2 O Rh'
_chemical_formula_weight         417.16
_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                 100.279(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   10.1250(3)
_cell_length_b                   11.9420(3)
_cell_length_c                   12.8180(6)
_cell_measurement_temperature    233(2)
_cell_volume                     1524.99(9)
_diffrn_ambient_temperature      233(2)
_exptl_crystal_density_diffrn    1.817
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               4062701
; Organometallics  (2004) –; doi:10.1021/om049523w

data_4062702
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om049523w
_journal_year                    2004
_chemical_formula_moiety         'C15 H13 Mo O6, B F4'
_chemical_formula_sum            'C15 H13 B F4 Mo O6'
_chemical_formula_weight         472.00
_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                 98.661(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   11.8131(11)
_cell_length_b                   11.8309(11)
_cell_length_c                   12.6976(12)
_cell_measurement_temperature    115(2)
_cell_volume                     1754.4(3)
_diffrn_ambient_temperature      115(2)
_exptl_crystal_density_diffrn    1.787
_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               4062702