LMucko/crystallography-open-database huggingface dataset:
Regio- and Enantioselective Intermolecular Rhodium-Catalyzed [2+2+2] Carbocyclization Reactions of 1,6-Enynes with Methyl Arylpropiolates
Evans, P. Andrew; Lai, Kwong Wah; Sawyer, James R.; Journal of the American Chemical Society  (2005) –; doi:

data_4100234
_publ_section_title
;
 Regio- and Enantioselective Intermolecular
 Rhodium-Catalyzed [2+2+2] Carbocyclization
 Reactions of 1,6-Enynes with Methyl Arylpropiolates
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_year                    2005
_chemical_absolute_configuration ad
_chemical_formula_moiety         'C23 H23 N O4 S'
_chemical_formula_sum            'C23 H23 N O4 S'
_chemical_formula_weight         409.48
_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                 90.270(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   10.9212(10)
_cell_length_b                   5.3916(5)
_cell_length_c                   17.0437(16)
_cell_measurement_temperature    120(2)
_cell_volume                     1003.57(16)
_diffrn_ambient_temperature      120(2)
_exptl_crystal_density_diffrn    1.355
_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               4100234
; Journal of the American Chemical Society  (2005) –; doi:

data_4100235
_journal_name_full               'Journal of the American Chemical Society'
_journal_year                    2005
_chemical_formula_moiety         '2(C40 H38 F N2 O7 P), C7H8'
_chemical_formula_sum            'C43.5 H60 F N2 O7 P'
_chemical_formula_weight         772.90
_chemical_melting_point          '235-7 C'
_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                88.0654(16)
_cell_angle_beta                 79.5006(18)
_cell_angle_gamma                89.938(4)
_cell_formula_units_Z            2
_cell_length_a                   9.7920(5)
_cell_length_b                   11.3547(5)
_cell_length_c                   21.4063(11)
_cell_measurement_temperature    293(2)
_cell_volume                     2338.8(2)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.097
_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        'C43.50 H60 F N2 O7 P'
_cod_database_code               4100235
; Journal of the American Chemical Society  (2005) –; doi:

data_4100236
_journal_name_full               'Journal of the American Chemical Society'
_journal_year                    2005
_chemical_absolute_configuration syn
_chemical_formula_moiety         'C51 H77 O9 P, C4 H10 O'
_chemical_formula_sum            'C55 H87 O10 P'
_chemical_formula_weight         939.22
_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                   11.2661(2)
_cell_length_b                   16.8443(2)
_cell_length_c                   30.1188(5)
_cell_measurement_temperature    293(2)
_cell_volume                     5715.63(15)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.091
_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               4100236
; Journal of the American Chemical Society  (2005) –; doi:

data_4100237
_journal_name_full               'Journal of the American Chemical Society'
_journal_year                    2005
_chemical_formula_sum            'C28 H33 N O5'
_chemical_formula_weight         463.55
_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                79.242(2)
_cell_angle_beta                 83.470(2)
_cell_angle_gamma                80.402(2)
_cell_formula_units_Z            2
_cell_length_a                   9.3397(2)
_cell_length_b                   11.4953(3)
_cell_length_c                   12.0017(3)
_cell_measurement_temperature    153(2)
_cell_volume                     1243.62(5)
_diffrn_ambient_temperature      153(2)
_exptl_crystal_density_diffrn    1.238
_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               4100237
; Journal of the American Chemical Society  (2005) –; doi:

data_4100238
_journal_name_full               'Journal of the American Chemical Society'
_journal_year                    2005
_chemical_formula_sum            'C41 H46 N2 O7 S'
_chemical_formula_weight         710.86
_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                 92.4980(13)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   17.3357(3)
_cell_length_b                   18.3236(4)
_cell_length_c                   11.5161(5)
_cell_measurement_temperature    153(2)
_cell_volume                     3654.64(19)
_diffrn_ambient_temperature      153(2)
_exptl_crystal_density_diffrn    1.292
_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               4100238
; Journal of the American Chemical Society  (2005) –; doi:

data_4100239
_journal_name_full               'Journal of the American Chemical Society'
_journal_year                    2005
_chemical_formula_sum            'C47 H53 N2 O7 S'
_chemical_formula_weight         789.97
_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                87.112(1)
_cell_angle_beta                 74.288(1)
_cell_angle_gamma                76.143(1)
_cell_formula_units_Z            2
_cell_length_a                   11.1857(2)
_cell_length_b                   12.2691(3)
_cell_length_c                   16.4143(4)
_cell_measurement_temperature    153(2)
_cell_volume                     2105.14(8)
_diffrn_ambient_temperature      153(2)
_exptl_crystal_density_diffrn    1.246
_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               4100239
; Journal of the American Chemical Society  (2005) –; doi:

data_4100240
_journal_name_full               'Journal of the American Chemical Society'
_journal_year                    2005
_chemical_formula_sum            'C38 H45 N3 O8'
_chemical_formula_weight         671.77
_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                102.634(1)
_cell_angle_beta                 90.790(1)
_cell_angle_gamma                98.378(1)
_cell_formula_units_Z            2
_cell_length_a                   8.8203(5)
_cell_length_b                   12.4682(3)
_cell_length_c                   16.9791(2)
_cell_measurement_temperature    153(2)
_cell_volume                     1800.57(11)
_diffrn_ambient_temperature      153(2)
_exptl_crystal_density_diffrn    1.239
_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               4100240
; Journal of the American Chemical Society  (2005) –; doi:

data_4100241
_journal_name_full               'Journal of the American Chemical Society'
_journal_year                    2005
_chemical_formula_sum            'C34.5 H42 N2 O8.5'
_chemical_formula_weight         620.70
_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                87.720(2)
_cell_angle_beta                 78.039(2)
_cell_angle_gamma                79.337(2)
_cell_formula_units_Z            2
_cell_length_a                   9.0359(4)
_cell_length_b                   12.6771(6)
_cell_length_c                   14.4654(7)
_cell_measurement_temperature    153(2)
_cell_volume                     1593.03(13)
_diffrn_ambient_temperature      153(2)
_exptl_crystal_density_diffrn    1.294
_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        'C34.50 H42 N2 O8.50'
_cod_database_code               4100241
; Journal of the American Chemical Society  (2005) –; doi:

data_4100242
_journal_name_full               'Journal of the American Chemical Society'
_journal_year                    2005
_chemical_formula_sum            'C94 H14 S4 Sc3'
_chemical_formula_weight         1406.17
_space_group_IT_number           11
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yb'
_symmetry_space_group_name_H-M   'P 1 21/m 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 103.8910(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   11.0603(9)
_cell_length_b                   14.4019(11)
_cell_length_c                   15.5750(12)
_cell_measurement_temperature    90
_cell_volume                     2408.4(3)
_diffrn_ambient_temperature      90
_exptl_crystal_density_diffrn    1.939
_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/m'
_cod_database_code               4100242
; Journal of the American Chemical Society  (2005) –; doi:

data_4100243
_journal_name_full               'Journal of the American Chemical Society'
_journal_year                    2005
_chemical_formula_sum            'C109 H50 N S2 Sc3'
_chemical_formula_weight         1572.50
_space_group_IT_number           58
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2 2n'
_symmetry_space_group_name_H-M   'P n n m'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   16.0353(15)
_cell_length_b                   25.543(2)
_cell_length_c                   15.0618(14)
_cell_measurement_temperature    90
_cell_volume                     6169.2(10)
_diffrn_ambient_temperature      90
_exptl_crystal_density_diffrn    1.693
_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               4100243
; Journal of the American Chemical Society  (2005) –; doi:

data_4100244
_journal_name_full               'Journal of the American Chemical Society'
_journal_year                    2005
_chemical_absolute_configuration syn
_chemical_formula_moiety         'C11 H18 N4 O3 S'
_chemical_formula_sum            'C11 H18 N4 O3 S'
_chemical_formula_weight         286.35
_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                 96.499(6)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   6.5893(13)
_cell_length_b                   5.4676(11)
_cell_length_c                   18.392(3)
_cell_measurement_temperature    193(2)
_cell_volume                     658.4(2)
_diffrn_ambient_temperature      193(2)
_exptl_crystal_density_diffrn    1.444
_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_Hall     'P 2yb '
_cod_original_sg_symbol_H-M      'P 21'
_cod_database_code               4100244
; Journal of the American Chemical Society  (2005) –; doi:

data_4100245
_journal_name_full               'Journal of the American Chemical Society'
_journal_year                    2005
_chemical_absolute_configuration syn
_chemical_formula_moiety         'C8 H12 N4 O3, 2(H2 O)'
_chemical_formula_sum            'C8 H16 N4 O5'
_chemical_formula_weight         248.25
_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                 99.908(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   6.0389(7)
_cell_length_b                   7.2672(9)
_cell_length_c                   12.9258(15)
_cell_measurement_temperature    193(2)
_cell_volume                     558.80(11)
_diffrn_ambient_temperature      193(2)
_exptl_crystal_density_diffrn    1.475
_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_Hall     'P 2yb '
_cod_original_sg_symbol_H-M      'P 21'
_cod_database_code               4100245
; Journal of the American Chemical Society  (2005) –; doi:

data_4100246
_journal_name_full               'Journal of the American Chemical Society'
_journal_year                    2005
_chemical_absolute_configuration syn
_chemical_formula_moiety         'C12 H20 N4 O3, H2 O'
_chemical_formula_sum            'C12 H22 N4 O4'
_chemical_formula_weight         286.34
_space_group_IT_number           18
_space_group_name_Hall           'P 2 2ab'
_space_group_name_H-M_alt        'P 21 21 2'
_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            4
_cell_length_a                   12.240(3)
_cell_length_b                   21.081(5)
_cell_length_c                   6.1137(14)
_cell_measurement_temperature    193(2)
_cell_volume                     1577.6(6)
_diffrn_ambient_temperature      193(2)
_exptl_crystal_density_diffrn    1.206
_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_original_sg_symbol_Hall     'P 2 2ab '
_cod_database_code               4100246
; Journal of the American Chemical Society  (2005) –; doi:

data_4100247
_journal_name_full               'Journal of the American Chemical Society'
_journal_year                    2005
_chemical_absolute_configuration syn
_chemical_formula_moiety         'C10 H14 N4 O5, 3(H2 O)'
_chemical_formula_sum            'C10 H20 N4 O8'
_chemical_formula_weight         324.30
_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                 104.029(7)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   4.8451(18)
_cell_length_b                   18.326(7)
_cell_length_c                   8.678(3)
_cell_measurement_temperature    193(2)
_cell_volume                     747.5(5)
_diffrn_ambient_temperature      193(2)
_exptl_crystal_density_diffrn    1.441
_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_Hall     'P 2yb '
_cod_original_sg_symbol_H-M      'P 21'
_cod_database_code               4100247
; Journal of the American Chemical Society  (2005) –; doi:

data_4100248
_journal_name_full               'Journal of the American Chemical Society'
_journal_year                    2005
_chemical_formula_moiety         'C11 H16 N4 O5'
_chemical_formula_sum            'C11 H16 N4 O5'
_chemical_formula_weight         284.28
_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                 99.102(4)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   4.9316(7)
_cell_length_b                   15.472(2)
_cell_length_c                   8.6253(13)
_cell_measurement_temperature    193(2)
_cell_volume                     649.84(17)
_diffrn_ambient_temperature      193(2)
_exptl_crystal_density_diffrn    1.453
_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_Hall     'P 2yb '
_cod_original_sg_symbol_H-M      'P 21'
_cod_database_code               4100248
; Journal of the American Chemical Society  (2005) –; doi:

data_4100249
_journal_name_full               'Journal of the American Chemical Society'
_journal_year                    2005
_chemical_absolute_configuration syn
_chemical_formula_moiety         '2(C9 H14 N4 O3), 2(C2 H6 O), H2 O'
_chemical_formula_sum            'C22 H42 N8 O9'
_chemical_formula_weight         562.64
_space_group_IT_number           18
_space_group_name_Hall           'P 2 2ab'
_space_group_name_H-M_alt        'P 21 21 2'
_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                   9.283(2)
_cell_length_b                   18.035(4)
_cell_length_c                   8.549(2)
_cell_measurement_temperature    193(2)
_cell_volume                     1431.2(6)
_diffrn_ambient_temperature      193(2)
_exptl_crystal_density_diffrn    1.306
_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_original_sg_symbol_Hall     'P 2 2ab '
_cod_database_code               4100249
; Journal of the American Chemical Society  (2005) –; doi:

data_4100250
_journal_name_full               'Journal of the American Chemical Society'
_journal_year                    2005
_chemical_formula_moiety         'C62 H74 N4 O8 Pd'
_chemical_formula_sum            'C62 H74 N4 O8 Pd'
_chemical_formula_weight         1109.65
_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                 92.689(19)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   11.839(17)
_cell_length_b                   17.17(2)
_cell_length_c                   27.07(8)
_cell_measurement_temperature    93(2)
_cell_volume                     5497(19)
_diffrn_ambient_temperature      93(2)
_exptl_crystal_density_diffrn    1.341
_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               4100250