LMucko/crystallography-open-database huggingface dataset:
; Journal of the American Chemical Society  (2006) –; doi:10.1021/ja057596g

data_4101079
_journal_name_full               'Journal of the American Chemical Society'
_journal_paper_doi               10.1021/ja057596g
_journal_year                    2006
_chemical_formula_sum            'C63 H94 O2 Si6'
_chemical_formula_weight         1051.92
_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                101.985(2)
_cell_angle_beta                 91.090(2)
_cell_angle_gamma                107.392(3)
_cell_formula_units_Z            2
_cell_length_a                   10.7998(5)
_cell_length_b                   16.5382(5)
_cell_length_c                   19.1217(8)
_cell_measurement_temperature    150(2)
_cell_volume                     3176.1(2)
_diffrn_ambient_temperature      150(2)
_exptl_crystal_density_diffrn    1.100
_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               4101079
; Journal of the American Chemical Society  (2006) –; doi:

data_4101080
_journal_name_full               'Journal of the American Chemical Society'
_journal_year                    2006
_chemical_formula_sum            'C25 H34 N2 O3 S'
_chemical_formula_weight         442.60
_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                 102.725(5)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   14.318(4)
_cell_length_b                   10.207(3)
_cell_length_c                   16.772(4)
_cell_measurement_temperature    193(2)
_cell_volume                     2391.0(11)
_diffrn_ambient_temperature      193(2)
_exptl_crystal_density_diffrn    1.230
_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'
_cod_database_code               4101080
; Journal of the American Chemical Society  (2006) –; doi:10.1021/ja057665r

data_4101081
_journal_name_full               'Journal of the American Chemical Society'
_journal_paper_doi               10.1021/ja057665r
_journal_year                    2006
_chemical_formula_sum            'C45 H45 Cl2 F6 Fe P3'
_chemical_formula_weight         919.47
_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                98.1820(10)
_cell_angle_beta                 99.9560(10)
_cell_angle_gamma                103.8380(10)
_cell_formula_units_Z            2
_cell_length_a                   10.4160(2)
_cell_length_b                   14.1614(2)
_cell_length_c                   15.0200(2)
_cell_measurement_temperature    120(1)
_cell_volume                     2079.38(6)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.469
_cod_database_code               4101081
; Journal of the American Chemical Society  (2006) –; doi:10.1021/ja057665r

data_4101082
_journal_name_full               'Journal of the American Chemical Society'
_journal_paper_doi               10.1021/ja057665r
_journal_year                    2006
_chemical_formula_sum            'C140.5 H147 Fe3 O1.5 P6'
_chemical_formula_weight         2212.95
_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                88.8630(10)
_cell_angle_beta                 78.0540(10)
_cell_angle_gamma                79.3100(10)
_cell_formula_units_Z            2
_cell_length_a                   13.5647(2)
_cell_length_b                   15.8974(3)
_cell_length_c                   27.9560(4)
_cell_measurement_temperature    120(1)
_cell_volume                     5794.53(16)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.268
_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        'C140.50 H147 Fe3 O1.50 P6'
_cod_database_code               4101082
; Journal of the American Chemical Society  (2006) –; doi:10.1021/ja057665r

data_4101083
_journal_name_full               'Journal of the American Chemical Society'
_journal_paper_doi               10.1021/ja057665r
_journal_year                    2006
_chemical_formula_sum            'C100 H96 Fe2 P4'
_chemical_formula_weight         1533.35
_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                86.8100(10)
_cell_angle_beta                 67.9200(10)
_cell_angle_gamma                82.8180(10)
_cell_formula_units_Z            2
_cell_length_a                   14.7336(3)
_cell_length_b                   16.8011(3)
_cell_length_c                   17.9380(3)
_cell_measurement_temperature    293(2)
_cell_volume                     4082.26(13)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.247
_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               4101083
; Journal of the American Chemical Society  (2006) –; doi:10.1021/ja057665r

data_4101084
_journal_name_full               'Journal of the American Chemical Society'
_journal_paper_doi               10.1021/ja057665r
_journal_year                    2006
_chemical_formula_sum            'C62.25 H52.5 Cl0.5 Fe N4 P2'
_chemical_formula_weight         992.10
_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                98.742(2)
_cell_angle_beta                 95.508(2)
_cell_angle_gamma                98.512(2)
_cell_formula_units_Z            2
_cell_length_a                   11.1235(3)
_cell_length_b                   11.9397(3)
_cell_length_c                   20.8638(6)
_cell_measurement_temperature    120(1)
_cell_volume                     2688.62(13)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.225
_cod_original_formula_sum        'C62.25 H52.50 Cl0.50 Fe N4 P2'
_cod_database_code               4101084
; Journal of the American Chemical Society  (2006) –; doi:10.1021/ja0576684

data_4101085
_journal_name_full               'Journal of the American Chemical Society'
_journal_paper_doi               10.1021/ja0576684
_journal_year                    2006
_chemical_formula_moiety         'C45 H76 Cl N2 P2 Rh '
_chemical_formula_sum            'C45 H76 Cl N2 P2 Rh'
_chemical_formula_weight         845.41
_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                 95.523(1)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   10.7802(4)
_cell_length_b                   17.2770(7)
_cell_length_c                   24.0417(9)
_cell_measurement_temperature    159.2
_cell_volume                     4457.0(3)
_exptl_crystal_density_diffrn    1.260
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_original_formula_sum        'C45 H76 Cl N2 P2 Rh '
_cod_database_code               4101085
; Journal of the American Chemical Society  (2006) –; doi:10.1021/ja057747f

data_4101086
_journal_name_full               'Journal of the American Chemical Society'
_journal_paper_doi               10.1021/ja057747f
_journal_year                    2006
_chemical_formula_sum            'C72 H162 N0 Nb2 O6 P Si6'
_chemical_formula_weight         1509.35
_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                75.414(4)
_cell_angle_beta                 87.661(5)
_cell_angle_gamma                88.146(5)
_cell_formula_units_Z            2
_cell_length_a                   12.9821(11)
_cell_length_b                   16.2465(19)
_cell_length_c                   21.136(3)
_cell_measurement_temperature    173(2)
_cell_volume                     4309.5(8)
_diffrn_ambient_temperature      173(2)
_exptl_crystal_density_diffrn    1.163
_cod_database_code               4101086
Molecular wires comprising π-extended ethynyl- and butadiynyl-2,5-diphenyl-1,3,4-oxadiazole derivatives: synthesis, redox, structural and optoelectronic properties.
Wang, Changsheng; Pålsson, Lars-Olof; Batsanov, Andrei S.; Bryce, Martin R.; Journal of the American Chemical Society  (2006) –; doi:10.1021/ja0577600

data_4101087
_publ_section_title
;
 Molecular wires comprising \p-extended ethynyl- and
butadiynyl-2,5-diphenyl-1,3,4-oxadiazole derivatives:
synthesis, redox, structural and optoelectronic properties.
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_paper_doi               10.1021/ja0577600
_journal_year                    2006
_chemical_formula_moiety         'C22 H18 N2 O'
_chemical_formula_sum            'C22 H18 N2 O'
_chemical_formula_weight         326.38
_chemical_melting_point          '160\% C (dec. violently)'
_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                 95.48(1)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   9.536(1)
_cell_length_b                   10.710(2)
_cell_length_c                   17.567(2)
_cell_measurement_temperature    100(2)
_cell_volume                     1785.9(4)
_diffrn_ambient_temperature      100(2)
_exptl_crystal_density_diffrn    1.214
_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               4101087
Molecular wires comprising π-extended ethynyl- and butadiynyl-2,5-diphenyl-1,3,4-oxadiazole derivatives: synthesis, redox, structural and optoelectronic properties.
Wang, Changsheng; Pålsson, Lars-Olof; Batsanov, Andrei S.; Bryce, Martin R.; Journal of the American Chemical Society  (2006) –; doi:10.1021/ja0577600

data_4101088
_publ_section_title
;
Molecular wires comprising \p-extended ethynyl- and
butadiynyl-2,5-diphenyl-1,3,4-oxadiazole derivatives:
synthesis, redox, structural and optoelectronic properties.
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_paper_doi               10.1021/ja0577600
_journal_year                    2006
_chemical_formula_moiety         'C40 H34 N4 O2'
_chemical_formula_sum            'C40 H34 N4 O2'
_chemical_formula_weight         602.71
_chemical_melting_point          581.6(4)
_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                 104.54(1)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   31.526(3)
_cell_length_b                   6.1185(4)
_cell_length_c                   16.6372(14)
_cell_measurement_temperature    120(2)
_cell_volume                     3106.4(4)
_diffrn_ambient_temperature      120(2)
_exptl_crystal_density_diffrn    1.289
_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 

The following automatic conversions were performed:

'_chemical_melting_point' value '308.1- 308.9 \% C' was changed to
'581.6(4)' - it was converted from degrees Celsius(C) to Kelvins(K),
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_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               4101088
Molecular wires comprising π-extended ethynyl- and butadiynyl-2,5-diphenyl-1,3,4-oxadiazole derivatives: synthesis, redox, structural and optoelectronic properties.
Wang, Changsheng; Pålsson, Lars-Olof; Batsanov, Andrei S.; Bryce, Martin R.; Journal of the American Chemical Society  (2006) –; doi:10.1021/ja0577600

data_4101089
_publ_section_title
;
Molecular wires comprising \p-extended ethynyl- and
butadiynyl-2,5-diphenyl-1,3,4-oxadiazole derivatives:
synthesis, redox, structural and optoelectronic properties.
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_paper_doi               10.1021/ja0577600
_journal_year                    2006
_chemical_formula_moiety         'C66 H62 N4 O4 S2,3(C H Cl3)'
_chemical_formula_sum            'C69 H65 Cl9 N4 O4 S2'
_chemical_formula_weight         1397.42
_chemical_melting_point          567.6(6)
_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                105.61(1)
_cell_angle_beta                 94.59(1)
_cell_angle_gamma                95.14(1)
_cell_formula_units_Z            2
_cell_length_a                   11.559(3)
_cell_length_b                   13.703(4)
_cell_length_c                   22.000(5)
_cell_measurement_temperature    100(2)
_cell_volume                     3322.9(15)
_diffrn_ambient_temperature      100(2)
_exptl_crystal_density_diffrn    1.397
_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 

The following automatic conversions were performed:

'_chemical_melting_point' value '293.9--295.0\% C' was changed to
'567.6(6)' - it was converted from degrees Celsius(C) to Kelvins(K),
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               4101089
Molecular wires comprising π-extended ethynyl- and butadiynyl-2,5-diphenyl-1,3,4-oxadiazole derivatives: synthesis, redox, structural and optoelectronic properties.
Wang, Changsheng; Pålsson, Lars-Olof; Batsanov, Andrei S.; Bryce, Martin R.; Journal of the American Chemical Society  (2006) –; doi:10.1021/ja0577600

data_4101090
_publ_section_title
;
Molecular wires comprising \p-extended ethynyl- and
butadiynyl-2,5-diphenyl-1,3,4-oxadiazole derivatives:
synthesis, redox, structural and optoelectronic properties.
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_paper_doi               10.1021/ja0577600
_journal_year                    2006
_chemical_formula_moiety         'C29 H26 N2 O S4'
_chemical_formula_sum            'C29 H26 N2 O S4'
_chemical_formula_weight         546.76
_chemical_melting_point          458
_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                 92.55(1)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   24.260(7)
_cell_length_b                   6.624(2)
_cell_length_c                   16.348(5)
_cell_measurement_temperature    120(2)
_cell_volume                     2624.5(14)
_diffrn_ambient_temperature      120(2)
_exptl_crystal_density_diffrn    1.384
_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 

The following automatic conversions were performed:

'_chemical_melting_point' value '458 K' was changed to '458' - the
value should be numeric and without a unit designator.

Automatic conversion script
Id: cif_fix_values 1646 2011-03-28 12:23:43Z adriana 
;
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               4101090
Molecular wires comprising π-extended ethynyl- and butadiynyl-2,5-diphenyl-1,3,4-oxadiazole derivatives: synthesis, redox, structural and optoelectronic properties.
Wang, Changsheng; Pålsson, Lars-Olof; Batsanov, Andrei S.; Bryce, Martin R.; Journal of the American Chemical Society  (2006) –; doi:10.1021/ja0577600

data_4101091
_publ_section_title
;
Molecular wires comprising \p-extended ethynyl- and
butadiynyl-2,5-diphenyl-1,3,4-oxadiazole derivatives:
synthesis, redox, structural and optoelectronic properties.
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_paper_doi               10.1021/ja0577600
_journal_year                    2006
_chemical_formula_moiety         'C40 H31 N3 O'
_chemical_formula_sum            'C40 H31 N3 O'
_chemical_formula_weight         569.68
_chemical_melting_point          431.05
_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                105.15(1)
_cell_angle_beta                 107.81(1)
_cell_angle_gamma                105.96(1)
_cell_formula_units_Z            2
_cell_length_a                   9.827(1)
_cell_length_b                   12.841(3)
_cell_length_c                   14.572(3)
_cell_measurement_temperature    120(2)
_cell_volume                     1558.7(5)
_diffrn_ambient_temperature      120(2)
_exptl_crystal_density_diffrn    1.214
_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 

The following automatic conversions were performed:

'_chemical_melting_point' value '157.9\% C' was changed to '431.05' -
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               4101091
; Journal of the American Chemical Society  (2006) –; doi:10.1021/ja057808+

data_4101092
_journal_name_full               'Journal of the American Chemical Society'
_journal_paper_doi               10.1021/ja057808+
_journal_year                    2006
_chemical_formula_sum            'C66 H64 N8 U'
_chemical_formula_weight         1207.28
_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                 101.815(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   14.359(3)
_cell_length_b                   13.611(2)
_cell_length_c                   28.142(5)
_cell_measurement_temperature    141(2)
_cell_volume                     5383.6(17)
_diffrn_ambient_temperature      141(2)
_exptl_crystal_density_diffrn    1.490
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               4101092
; Journal of the American Chemical Society  (2006) –; doi:10.1021/ja057808+

data_4101093
_journal_name_full               'Journal of the American Chemical Society'
_journal_paper_doi               10.1021/ja057808+
_journal_year                    2006
_chemical_formula_sum            'C113 H132 N8 U Yb2'
_chemical_formula_weight         2186.38
_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                 93.279(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   25.246(4)
_cell_length_b                   9.4223(13)
_cell_length_c                   44.649(6)
_cell_measurement_temperature    141(2)
_cell_volume                     10604(3)
_diffrn_ambient_temperature      141(2)
_exptl_crystal_density_diffrn    1.370
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               4101093
Edwards, Peter G.; Newman, Paul D.; Journal of the American Chemical Society  (2006) –; doi:10.1021/ja0578956

data_4101094
_journal_name_full               'Journal of the American Chemical Society'
_journal_paper_doi               10.1021/ja0578956
_journal_year                    2006
_chemical_formula_moiety         'C20 H40 Fe P3 Si, F6 P'
_chemical_formula_sum            'C20 H40 F6 Fe P4 Si'
_chemical_formula_weight         602.34
_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                 99.48(8)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   8.226(3)
_cell_length_b                   21.665(5)
_cell_length_c                   15.256(5)
_cell_measurement_temperature    293(2)
_cell_volume                     2681.7(13)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.492
_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'
_cod_database_code               4101094