LMucko/crystallography-open-database huggingface dataset:
; Organometallics  (2004) –; doi:10.1021/om049700t

data_4062823
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om049700t
_journal_year                    2004
_chemical_formula_sum            'C16 H32 N Ni P2'
_chemical_formula_weight         359.08
_space_group_IT_number           120
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_Hall  'I -4 -2c'
_symmetry_space_group_name_H-M   'I -4 c 2'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   14.6416(5)
_cell_length_b                   14.6416(5)
_cell_length_c                   18.4819(9)
_cell_measurement_temperature    193(2)
_cell_volume                     3962.1(3)
_diffrn_ambient_temperature      193(2)
_exptl_crystal_density_diffrn    1.204
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Tetragonal' changed to 'tetragonal'
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 4 -c 2'
_cod_database_code               4062823
; Organometallics  (2004) –; doi:10.1021/om049700t

data_4062824
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om049700t
_journal_year                    2004
_chemical_formula_sum            'C16 H32 N2 Ni P2'
_chemical_formula_weight         373.09
_chemical_name_common            'Ni(dippe)(CN)2, 11'
_space_group_IT_number           120
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_Hall  'I -4 -2c'
_symmetry_space_group_name_H-M   'I -4 c 2'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   14.3969(5)
_cell_length_b                   14.3969(5)
_cell_length_c                   19.0492(9)
_cell_measurement_temperature    193(2)
_cell_volume                     3948.3(3)
_diffrn_ambient_temperature      193(2)
_exptl_crystal_density_diffrn    1.255
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Tetragonal' changed to 'tetragonal'
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 4 -c 2'
_cod_database_code               4062824
; Organometallics  (2004) –; doi:10.1021/om049700t

data_4062825
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om049700t
_journal_year                    2004
_chemical_formula_sum            'C34.5 H50 B N2 Ni P2'
_chemical_formula_weight         624.22
_chemical_name_common            'Ni(dippe)(MeCNBPh3), 12'
_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                 101.8490(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   8.9614(6)
_cell_length_b                   21.0752(13)
_cell_length_c                   19.6719(12)
_cell_measurement_temperature    193(2)
_cell_volume                     3636.1(4)
_diffrn_ambient_temperature      193(2)
_exptl_crystal_density_diffrn    1.140
_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_original_formula_sum        'C34.50 H50 B N2 Ni P2'
_cod_database_code               4062825
Synthesis, Reactivity and Computational Studies of the Cationic Tungsten Methyl Complex [W(NPh)(N~2~N~py~)Me]^+^ and related compounds (N~2~N~py~ = MeC(2-C~5~H~4~N)(CH~2~NSiMe~3~)~2~)
Ward, Benjamin D.; Orde, Gavin; Clot, Eric; Cowley, Andrew R.; Gade, Lutz H.; Mountford, Philip; Organometallics 23 (2004) 4444–4461; doi:10.1021/om049701l

data_4062826
_publ_section_title
;
Synthesis, Reactivity and Computational Studies of the Cationic 
Tungsten Methyl Complex [W(NPh)(N~2~N~py~)Me]^+^ and related 
compounds (N~2~N~py~ = MeC(2-C~5~H~4~N)(CH~2~NSiMe~3~)~2~)
;
_journal_issue                   19
_journal_name_full               Organometallics
_journal_page_first              4444
_journal_page_last               4461
_journal_paper_doi               10.1021/om049701l
_journal_volume                  23
_journal_year                    2004
_chemical_formula_moiety         ' C20 H41 N4 Si2 Ta1 '
_chemical_formula_sum            'C20 H41 N4 Si2 Ta'
_chemical_formula_weight         574.69
_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                104.2341(9)
_cell_angle_beta                 100.1951(10)
_cell_angle_gamma                105.6688(11)
_cell_formula_units_Z            2
_cell_length_a                   9.5633(2)
_cell_length_b                   10.1910(2)
_cell_length_c                   15.0362(4)
_cell_measurement_temperature    150
_cell_volume                     1320.3
_diffrn_ambient_temperature      150
_exptl_crystal_density_diffrn    1.445
_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        'C20 H41 N4 Si2 Ta1'
_cod_database_code               4062826
Activation of C(sp2)-H and Reduction of C=E (E = CH, N) Bonds with an Osmium-hexahydride Complex: Influence of E on the Behavior of RCH=E-py Substrates
Barrio, M. P.; Esteruelas, M. A.; Oñate, E.; Organometallics  (2004) –; doi:10.1021/om0497036

data_4062830
_publ_section_title
;
Activation of C(sp2)-H and Reduction of C=E
(E = CH, N) Bonds with an Osmium-hexahydride
Complex: Influence of E on the Behavior of
RCH=E-py Substrates
;
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om0497036
_journal_year                    2004
_chemical_formula_sum            'C25 H51 N Os P2'
_chemical_formula_weight         617.81
_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                79.5480(10)
_cell_angle_beta                 89.0740(10)
_cell_angle_gamma                82.6080(10)
_cell_formula_units_Z            2
_cell_length_a                   7.5678(6)
_cell_length_b                   12.1370(10)
_cell_length_c                   15.4192(13)
_cell_measurement_temperature    100(2)
_cell_volume                     1381.1(2)
_diffrn_ambient_temperature      100(2)
_exptl_crystal_density_diffrn    1.486
_cod_database_code               4062830
Activation of C(sp2)-H and Reduction of C=E (E = CH, N) Bonds with an Osmium-hexahydride Complex: Influence of E on the Behavior of RCH=E-py Substrates
Barrio, M. P.; Esteruelas, M. A.; Oñate, E.; Organometallics  (2004) –; doi:10.1021/om0497036

data_4062831
_publ_section_title
;
Activation of C(sp2)-H and Reduction of C=E
(E = CH, N) Bonds with an Osmium-hexahydride
Complex: Influence of E on the Behavior of
RCH=E-py Substrates
;
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om0497036
_journal_year                    2004
_chemical_formula_moiety         'C25 H52 N Os P2, B F4, 1/2 C4 H10 O'
_chemical_formula_sum            'C27 H57 B F4 N O0.5 Os P2'
_chemical_formula_weight         742.69
_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                84.276(4)
_cell_angle_beta                 83.400(4)
_cell_angle_gamma                69.593(4)
_cell_formula_units_Z            4
_cell_length_a                   8.947(2)
_cell_length_b                   11.992(3)
_cell_length_c                   32.215(8)
_cell_measurement_temperature    100(2)
_cell_volume                     3211.2(13)
_diffrn_ambient_temperature      100(2)
_exptl_crystal_density_diffrn    1.536
_cod_original_formula_sum        'C27 H57 B F4 N O0.50 Os P2'
_cod_database_code               4062831
Activation of C(sp2)-H and Reduction of C=E (E = CH, N) Bonds with an Osmium-hexahydride Complex: Influence of E on the Behavior of RCH=E-py Substrates
Barrio, M. P.; Esteruelas, M. A.; Oñate, E.; Organometallics  (2004) –; doi:10.1021/om0497036

data_4062832
_publ_section_title
;
Activation of C(sp2)-H and Reduction of C=E
(E = CH, N) Bonds with an Osmium-hexahydride
Complex: Influence of E on the Behavior of
RCH=E-py Substrates
;
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om0497036
_journal_year                    2004
_chemical_formula_sum            'C24 H52 N2 Os P2'
_chemical_formula_weight         620.82
_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                 96.8040(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   7.7832(7)
_cell_length_b                   38.317(3)
_cell_length_c                   18.7027(17)
_cell_measurement_temperature    100(2)
_cell_volume                     5538.4(9)
_diffrn_ambient_temperature      100(2)
_exptl_crystal_density_diffrn    1.489
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               4062832
; Organometallics  (2004) –; doi:10.1021/om049704y

data_4062833
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om049704y
_journal_year                    2004
_chemical_formula_sum            'C30 H38 N2 Ru2'
_chemical_formula_weight         628.76
_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                 105.74(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   11.483(15)
_cell_length_b                   15.91(2)
_cell_length_c                   16.02(2)
_cell_measurement_temperature    296(2)
_cell_volume                     2817(6)
_diffrn_ambient_temperature      296(2)
_exptl_crystal_density_diffrn    1.483
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               4062833
; Organometallics  (2004) –; doi:10.1021/om049704y

data_4062834
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om049704y
_journal_year                    2004
_chemical_formula_sum            'C35 H42 Cl4 N2 O3 Ru2'
_chemical_formula_weight         882.65
_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                105.730(18)
_cell_angle_beta                 100.04(2)
_cell_angle_gamma                95.60(2)
_cell_formula_units_Z            2
_cell_length_a                   11.634(5)
_cell_length_b                   12.399(5)
_cell_length_c                   13.935(8)
_cell_measurement_temperature    296(2)
_cell_volume                     1882.8(15)
_diffrn_ambient_temperature      296(2)
_exptl_crystal_density_diffrn    1.557
_cod_database_code               4062834
; Organometallics  (2004) –; doi:10.1021/om049704y

data_4062835
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om049704y
_journal_year                    2004
_chemical_formula_sum            'C42 H59 N5 Ru2'
_chemical_formula_weight         836.08
_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                 105.30(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   11.510(3)
_cell_length_b                   16.845(5)
_cell_length_c                   22.298(7)
_cell_measurement_temperature    296(2)
_cell_volume                     4170(2)
_diffrn_ambient_temperature      296(2)
_exptl_crystal_density_diffrn    1.332
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               4062835
; Organometallics  (2004) –; doi:10.1021/om049705q

data_4062836
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om049705q
_journal_year                    2004
_chemical_formula_sum            'C70 H110 Al2 O4 Zr2'
_chemical_formula_weight         1251.98
_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                88.73(3)
_cell_angle_beta                 72.43(3)
_cell_angle_gamma                70.69(3)
_cell_formula_units_Z            1
_cell_length_a                   9.463(2)
_cell_length_b                   14.051(3)
_cell_length_c                   14.259(3)
_cell_measurement_temperature    200(2)
_cell_volume                     1699.4(6)
_diffrn_ambient_temperature      200(2)
_exptl_crystal_density_diffrn    1.223
_refine_ls_R_factor_obs          0.0471
_refine_ls_wR_factor_obs         0.1107
_cod_database_code               4062836
; Organometallics  (2004) –; doi:10.1021/om049705q

data_4062837
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om049705q
_journal_year                    2004
_chemical_formula_sum            'C33 H59 Al Si Zr'
_chemical_formula_weight         602.09
_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                78.04(3)
_cell_angle_beta                 88.80(3)
_cell_angle_gamma                74.64(3)
_cell_formula_units_Z            2
_cell_length_a                   9.417(2)
_cell_length_b                   10.512(2)
_cell_length_c                   18.407(4)
_cell_measurement_temperature    293(2)
_cell_volume                     1717.8(6)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.164
_refine_ls_R_factor_obs          0.0486
_refine_ls_wR_factor_obs         0.0967
_cod_database_code               4062837
; Organometallics  (2004) –; doi:10.1021/om049705q

data_4062838
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om049705q
_journal_year                    2004
_chemical_formula_sum            'C40 H51 Al Zr'
_chemical_formula_weight         650.01
_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                 111.80(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   12.539(3)
_cell_length_b                   22.170(4)
_cell_length_c                   13.364(3)
_cell_measurement_temperature    293(2)
_cell_volume                     3449.4(13)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.252
_refine_ls_R_factor_obs          0.0376
_refine_ls_wR_factor_obs         0.0912
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               4062838
; Organometallics  (2004) –; doi:10.1021/om049705q

data_4062839
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om049705q
_journal_year                    2004
_chemical_formula_sum            'C48 H70 Al2 Zr'
_chemical_formula_weight         792.22
_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                74.42(3)
_cell_angle_beta                 79.57(3)
_cell_angle_gamma                69.31(3)
_cell_formula_units_Z            2
_cell_length_a                   12.185(2)
_cell_length_b                   12.395(2)
_cell_length_c                   16.555(3)
_cell_measurement_temperature    200(2)
_cell_volume                     2242.8(7)
_diffrn_ambient_temperature      200(2)
_exptl_crystal_density_diffrn    1.173
_refine_ls_R_factor_obs          0.0468
_refine_ls_wR_factor_obs         0.1089
_cod_database_code               4062839
; Organometallics  (2004) –; doi:10.1021/om049707a

data_4062840
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om049707a
_journal_year                    2004
_chemical_formula_sum            'C22 H24 B2 Br4 Fe2 P2'
_chemical_formula_weight         803.31
_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                85.952(8)
_cell_angle_beta                 83.493(8)
_cell_angle_gamma                73.518(8)
_cell_formula_units_Z            2
_cell_length_a                   7.0864(7)
_cell_length_b                   11.0523(11)
_cell_length_c                   17.5153(18)
_cell_measurement_temperature    173(2)
_cell_volume                     1305.9(2)
_diffrn_ambient_temperature      173(2)
_exptl_crystal_density_diffrn    2.043
_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               4062840
; Organometallics  (2004) –; doi:10.1021/om0497137

data_4062841
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om0497137
_journal_year                    2004
_chemical_formula_sum            'C72 H75 Cl4.53 Ga2 Ge3'
_chemical_formula_weight         1457.94
_space_group_IT_number           176
_symmetry_cell_setting           hexagonal
_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                   12.943(3)
_cell_length_b                   12.943(3)
_cell_length_c                   22.537(6)
_cell_measurement_temperature    90(2)
_cell_volume                     3269.6(12)
_diffrn_ambient_temperature      90(2)
_exptl_crystal_density_diffrn    1.481
_cod_database_code               4062841
; Organometallics  (2004) –; doi:10.1021/om0497137

data_4062842
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om0497137
_journal_year                    2004
_chemical_formula_sum            'C72 H75 Cl3 Ge2 Sn3'
_chemical_formula_weight         1547.92
_chemical_name_common            Jeff*3Sn3Ge2Cl3
_chemical_temperature_decomposition 100(10)
_space_group_IT_number           176
_symmetry_cell_setting           hexagonal
_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                   13.0931(13)
_cell_length_b                   13.0931(13)
_cell_length_c                   22.405(3)
_cell_measurement_temperature    90(2)
_cell_volume                     3326.4(7)
_diffrn_ambient_temperature      90(2)
_exptl_crystal_density_diffrn    1.545
_cod_depositor_comments
;
The following automatic conversions were performed:

'_chemical_melting_point' tag was changed to
'_chemical_temperature_decomposition' since the value had been given
as '90-110 (decomposes)'. The value was changed to '100(10)' - the
average value was taken and precision was estimated.

Automatic conversion script
Id: cif_fix_values 1646 2011-03-28 12:23:43Z adriana 
;
_cod_database_code               4062842
; Organometallics  (2004) –; doi:10.1021/om049715r

data_4062843
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om049715r
_journal_year                    2004
_chemical_formula_sum            'C18 H30 B9 Ir'
_chemical_formula_weight         535.91
_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                 97.726(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   7.6587(11)
_cell_length_b                   16.045(2)
_cell_length_c                   16.740(2)
_cell_measurement_temperature    110(2)
_cell_volume                     2038.5(5)
_diffrn_ambient_temperature      110(2)
_exptl_crystal_density_diffrn    1.746
_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               4062843
; Organometallics  (2004) –; doi:10.1021/om049716j

data_4062844
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om049716j
_journal_year                    2004
_chemical_formula_sum            'C58 H98 Cl4 N4 P4 Ru2'
_chemical_formula_weight         1319.22
_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                 96.35(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   12.498(3)
_cell_length_b                   21.564(4)
_cell_length_c                   23.683(5)
_cell_measurement_temperature    120(2)
_cell_volume                     6344(2)
_diffrn_ambient_temperature      120(2)
_exptl_crystal_density_diffrn    1.381
_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               4062844