LMucko/crystallography-open-database huggingface dataset:
Correlation between molecular dipole moment and centrosymmetry in some crystalline diphenyl ethers.
Archan Dey; Gautam R. Desiraju; Chemical Communications  (2005) –; doi:10.1039/b502516h

data_7100478
_publ_section_title
;
Correlation between molecular
dipole moment and centrosymmetry
in some crystalline diphenyl ethers.
;
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/b502516h
_journal_year                    2005
_chemical_formula_moiety         'C12 H8 Cl N O3'
_chemical_formula_sum            'C12 H8 Cl N O3'
_chemical_formula_weight         249.64
_chemical_melting_point          248
_chemical_name_common            '4-Chloro-4'-nitrodiphenyl ether'
_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                 97.4580(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   10.0600(6)
_cell_length_b                   7.2712(5)
_cell_length_c                   15.6390(10)
_cell_measurement_temperature    243(2)
_cell_volume                     1134.29(13)
_diffrn_ambient_temperature      243(2)
_exptl_crystal_density_diffrn    1.462
_cod_original_sg_symbol_H-M      'P 21/m'
_cod_database_code               7100478
Correlation between molecular dipole moment and centrosymmetry in some crystalline diphenyl ethers.
Archan Dey; Gautam R. Desiraju; Chemical Communications  (2005) –; doi:10.1039/b502516h

data_7100479
_publ_section_title
;
Correlation between molecular
dipole moment and centrosymmetry
in some crystalline diphenyl ethers.
;
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/b502516h
_journal_year                    2005
_chemical_formula_moiety         'C12 H8 Br N O3'
_chemical_formula_sum            'C24 H16 Br2 N2 O6'
_chemical_formula_weight         588.21
_chemical_melting_point          347
_chemical_name_common            1-Bromo-4-(4-nitrophenoxy)benzene
_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                 116.7450(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   9.1199(9)
_cell_length_b                   27.782(3)
_cell_length_c                   9.8887(9)
_cell_measurement_temperature    100(2)
_cell_volume                     2237.4(4)
_diffrn_ambient_temperature      100(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               7100479
Correlation between molecular dipole moment and centrosymmetry in some crystalline diphenyl ethers.
Archan Dey; Gautam R. Desiraju; Chemical Communications  (2005) –; doi:10.1039/b502516h

data_7100480
_publ_section_title
;
Correlation between molecular
dipole moment and centrosymmetry
in some crystalline diphenyl ethers.
;
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/b502516h
_journal_year                    2005
_chemical_formula_moiety         'C14 H9 N O3'
_chemical_formula_sum            'C14 H9 N O3'
_chemical_formula_weight         239.22
_chemical_melting_point          357
_chemical_name_common            '4-Ethynyl-4'-nitrodiphenyl ether'
_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                 111.771(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   14.866(2)
_cell_length_b                   8.8944(14)
_cell_length_c                   19.496(3)
_cell_measurement_temperature    298(2)
_cell_volume                     2393.9(6)
_diffrn_ambient_temperature      298(2)
_exptl_crystal_density_diffrn    1.327
_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               7100480
Correlation between molecular dipole moment and centrosymmetry in some crystalline diphenyl ethers.
Archan Dey; Gautam R. Desiraju; Chemical Communications  (2005) –; doi:10.1039/b502516h

data_7100481
_publ_section_title
;
Correlation between molecular
dipole moment and centrosymmetry
in some crystalline diphenyl ethers.
;
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/b502516h
_journal_year                    2005
_chemical_formula_moiety         'C13 H8 I N O'
_chemical_formula_sum            'C13 H8 I N O'
_chemical_formula_weight         321.10
_chemical_melting_point          354
_chemical_name_common            4-(4-Iodophenoxy)benzonitrile
_space_group_IT_number           19
_space_group_name_Hall           'P 2ac 2ab'
_space_group_name_H-M_alt        'P 21 21 21'
_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                   5.325(4)
_cell_length_b                   7.960(5)
_cell_length_c                   28.285(19)
_cell_measurement_temperature    298(2)
_cell_volume                     1198.8(14)
_diffrn_ambient_temperature      298(2)
_exptl_crystal_density_diffrn    1.779
_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               7100481
Correlation between molecular dipole moment and centrosymmetry in some crystalline diphenyl ethers.
Archan Dey; Gautam R. Desiraju; Chemical Communications  (2005) –; doi:10.1039/b502516h

data_7100482
_publ_section_title
;
Correlation between molecular
dipole moment and centrosymmetry
in some crystalline diphenyl ethers.
;
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/b502516h
_journal_year                    2005
_chemical_formula_moiety         'C13 H8 Cl N O'
_chemical_formula_sum            'C13 H8 Cl N O'
_chemical_formula_weight         229.65
_chemical_melting_point          356
_chemical_name_common            4-(4-Iodophenoxy)benzonitrile
_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                 98.385(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   12.3125(17)
_cell_length_b                   7.3792(10)
_cell_length_c                   11.8045(17)
_cell_measurement_temperature    100(2)
_cell_volume                     1061.0(3)
_diffrn_ambient_temperature      100(2)
_exptl_crystal_density_diffrn    1.438
_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               7100482
Correlation between molecular dipole moment and centrosymmetry in some crystalline diphenyl ethers.
Archan Dey; Gautam R. Desiraju; Chemical Communications  (2005) –; doi:10.1039/b502516h

data_7100483
_publ_section_title
;
Correlation between molecular
dipole moment and centrosymmetry
in some crystalline diphenyl ethers.
;
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/b502516h
_journal_year                    2005
_chemical_formula_moiety         'C15 H9 N O'
_chemical_formula_sum            'C15 H9 N O'
_chemical_formula_weight         219.23
_chemical_melting_point          349
_chemical_name_common            4-(4-Ethynylphenoxy)benzonitrile
_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                 111.5700(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            20
_cell_length_a                   15.5731(11)
_cell_length_b                   21.7581(16)
_cell_length_c                   18.1368(13)
_cell_measurement_temperature    100(2)
_cell_volume                     5715.1(7)
_diffrn_ambient_temperature      100(2)
_exptl_crystal_density_diffrn    1.274
_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               7100483
Correlation between molecular dipole moment and centrosymmetry in some crystalline diphenyl ethers.
Archan Dey; Gautam R. Desiraju; Chemical Communications  (2005) –; doi:10.1039/b502516h

data_7100484
_publ_section_title
;
Correlation between molecular
dipole moment and centrosymmetry
in some crystalline diphenyl ethers.
;
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/b502516h
_journal_year                    2005
_chemical_formula_moiety         'C13 H8 Br N O'
_chemical_formula_sum            'C13 H8 Br N O'
_chemical_formula_weight         274.11
_chemical_melting_point          347
_chemical_name_common            4-(4-Bromophenoxy)benzonitrile
_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                 98.842(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   12.3919(18)
_cell_length_b                   7.3765(11)
_cell_length_c                   11.9824(18)
_cell_measurement_temperature    100(2)
_cell_volume                     1082.3(3)
_diffrn_ambient_temperature      100(2)
_exptl_crystal_density_diffrn    1.682
_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               7100484
Correlation between molecular dipole moment and centrosymmetry in some crystalline diphenyl ethers.
Archan Dey; Gautam R. Desiraju; Chemical Communications  (2005) –; doi:10.1039/b502516h

data_7100485
_publ_section_title
;
Correlation between molecular
dipole moment and centrosymmetry
in some crystalline diphenyl ethers.
;
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/b502516h
_journal_year                    2005
_chemical_formula_moiety         'C14 H14 N2 O3'
_chemical_formula_sum            'C14 H14 N2 O3'
_chemical_formula_weight         258.27
_chemical_melting_point          216
_chemical_name_common            'Aniline, N,N-dimethyl-p-(p-nitrophenoxy)'
_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                 90.208(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   5.8340(9)
_cell_length_b                   28.698(4)
_cell_length_c                   7.6833(12)
_cell_measurement_temperature    298(2)
_cell_volume                     1286.3(3)
_diffrn_ambient_temperature      298(2)
_exptl_crystal_density_diffrn    1.334
_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               7100485
Correlation between molecular dipole moment and centrosymmetry in some crystalline diphenyl ethers.
Archan Dey; Gautam R. Desiraju; Chemical Communications  (2005) –; doi:10.1039/b502516h

data_7100486
_publ_section_title
;
Correlation between molecular
dipole moment and centrosymmetry
in some crystalline diphenyl ethers.
;
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/b502516h
_journal_year                    2005
_chemical_formula_moiety         'C12 H8 N2 O5'
_chemical_formula_sum            'C12 H8 N2 O5'
_chemical_formula_weight         260.20
_chemical_melting_point          418
_chemical_name_common            '4,4'-Dinitrodiphenyl ether'
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 94.614(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   12.4081(17)
_cell_length_b                   9.2706(17)
_cell_length_c                   9.8031(13)
_cell_measurement_temperature    100(2)
_cell_volume                     1124.0(3)
_diffrn_ambient_temperature      100(2)
_exptl_crystal_density_diffrn    1.538
_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               7100486
Correlation between molecular dipole moment and centrosymmetry in some crystalline diphenyl ethers.
Archan Dey; Gautam R. Desiraju; Chemical Communications  (2005) –; doi:10.1039/b502516h

data_7100487
_publ_section_title
;
Correlation between molecular
dipole moment and centrosymmetry
in some crystalline diphenyl ethers.
;
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/b502516h
_journal_year                    2005
_chemical_formula_moiety         'C13 H11 N O3'
_chemical_formula_sum            'C13 H11 N O3'
_chemical_formula_weight         229.23
_chemical_melting_point          343
_chemical_name_common            4-methyl-4'-nitrodiphenylether
_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                 94.682(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   7.6100(11)
_cell_length_b                   8.8817(13)
_cell_length_c                   16.410(2)
_cell_measurement_temperature    100(2)
_cell_volume                     1105.4(3)
_diffrn_ambient_temperature      100(2)
_exptl_crystal_density_diffrn    1.377
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               7100487
Correlation between molecular dipole moment and centrosymmetry in some crystalline diphenyl ethers.
Archan Dey; Gautam R. Desiraju; Chemical Communications  (2005) –; doi:10.1039/b502516h

data_7100488
_publ_section_title
;
Correlation between molecular
dipole moment and centrosymmetry
in some crystalline diphenyl ethers.
;
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/b502516h
_journal_year                    2005
_chemical_formula_moiety         'C13 H13 N O'
_chemical_formula_sum            'C13 H13 N O'
_chemical_formula_weight         199.24
_chemical_melting_point          390
_chemical_name_common            4-(4-Methylphenoxy)aniline
_space_group_IT_number           19
_space_group_name_Hall           'P 2ac 2ab'
_space_group_name_H-M_alt        'P 21 21 21'
_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                   5.8600(11)
_cell_length_b                   7.8153(15)
_cell_length_c                   23.130(4)
_cell_measurement_temperature    298(2)
_cell_volume                     1059.3(3)
_diffrn_ambient_temperature      298(2)
_exptl_crystal_density_diffrn    1.249
_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               7100488
Correlation between molecular dipole moment and centrosymmetry in some crystalline diphenyl ethers.
Archan Dey; Gautam R. Desiraju; Chemical Communications  (2005) –; doi:10.1039/b502516h

data_7100489
_publ_section_title
;
Correlation between molecular
dipole moment and centrosymmetry
in some crystalline diphenyl ethers.
;
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/b502516h
_journal_year                    2005
_chemical_formula_moiety         'C13 H8 N2 O3'
_chemical_formula_sum            'C13 H8 N2 O3'
_chemical_formula_weight         240.21
_chemical_melting_point          433
_chemical_name_common            4'-Cyano-4-nitrodiphenylether
_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                 104.415(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   13.374(3)
_cell_length_b                   7.2793(16)
_cell_length_c                   11.782(3)
_cell_measurement_temperature    298(2)
_cell_volume                     1110.9(4)
_diffrn_ambient_temperature      298(2)
_exptl_crystal_density_diffrn    1.436
_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               7100489
Correlation between molecular dipole moment and centrosymmetry in some crystalline diphenyl ethers.
Archan Dey; Gautam R. Desiraju; Chemical Communications  (2005) –; doi:10.1039/b502516h

data_7100490
_publ_section_title
;
Correlation between molecular
dipole moment and centrosymmetry
in some crystalline diphenyl ethers.
;
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/b502516h
_journal_year                    2005
_chemical_formula_moiety         'C14 H8 N2 O'
_chemical_formula_sum            'C14 H8 N2 O'
_chemical_formula_weight         220.22
_chemical_melting_point          258
_chemical_name_common            '4,4'-Dicyanodiphenyl ether'
_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                 96.601(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   12.5909(18)
_cell_length_b                   7.4306(11)
_cell_length_c                   11.8337(17)
_cell_measurement_temperature    298(2)
_cell_volume                     1099.8(3)
_diffrn_ambient_temperature      298(2)
_exptl_crystal_density_diffrn    1.330
_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               7100490
Correlation between molecular dipole moment and centrosymmetry in some crystalline diphenyl ethers.
Archan Dey; Gautam R. Desiraju; Chemical Communications  (2005) –; doi:10.1039/b502516h

data_7100491
_publ_section_title
;
Correlation between molecular
dipole moment and centrosymmetry
in some crystalline diphenyl ethers.
;
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/b502516h
_journal_year                    2005
_chemical_formula_moiety         'C14 H11 N O'
_chemical_formula_sum            'C14 H11 N O'
_chemical_formula_weight         209.24
_chemical_melting_point          343
_chemical_name_common            4-(4-Methylphenoxy)benzonitrile
_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                 92.477(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   12.5167(19)
_cell_length_b                   6.7036(10)
_cell_length_c                   13.680(2)
_cell_measurement_temperature    298(2)
_cell_volume                     1146.8(3)
_diffrn_ambient_temperature      298(2)
_exptl_crystal_density_diffrn    1.212
_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               7100491