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_7100492
_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 O2'
_chemical_formula_sum            'C14 H11 N O2'
_chemical_formula_weight         225.24
_chemical_melting_point          381
_chemical_name_common            4-(4-Methoxyphenoxy)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                 106.166(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   12.319(2)
_cell_length_b                   7.9156(14)
_cell_length_c                   12.276(2)
_cell_measurement_temperature    298(2)
_cell_volume                     1149.7(3)
_diffrn_ambient_temperature      298(2)
_exptl_crystal_density_diffrn    1.301
_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               7100492
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_7100493
_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 H9 N O3'
_chemical_formula_sum            'C12 H9 N O3'
_chemical_formula_weight         215.20
_chemical_melting_point          329
_chemical_name_common            '4-Nitrodiphenyl ether'
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                87.76(3)
_cell_angle_beta                 88.25(3)
_cell_angle_gamma                88.88(3)
_cell_formula_units_Z            4
_cell_length_a                   6.7833(14)
_cell_length_b                   8.9802(18)
_cell_length_c                   17.306(4)
_cell_measurement_temperature    298(2)
_cell_volume                     1052.7(4)
_diffrn_ambient_temperature      298(2)
_exptl_crystal_density_diffrn    1.358
_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               7100493
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_7100494
_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 H16 N2 O'
_chemical_formula_sum            'C14 H16 N2 O'
_chemical_formula_weight         228.29
_chemical_melting_point          369
_chemical_name_common            '4-(4-aminophenoxy)-N,N-dimethyl benzenamine'
_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                 94.488(4)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   9.0473(17)
_cell_length_b                   17.419(3)
_cell_length_c                   7.9560(15)
_cell_measurement_temperature    298(2)
_cell_volume                     1250.0(4)
_diffrn_ambient_temperature      298(2)
_exptl_crystal_density_diffrn    1.213
_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               7100494
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_7100495
_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 H12 O4'
_chemical_formula_sum            'C14 H12 O4'
_chemical_formula_weight         244.24
_chemical_name_common            '4-(4-Methoxyphenoxy)benzoic acid'
_space_group_IT_number           61
_space_group_name_Hall           '-P 2ac 2ab'
_space_group_name_H-M_alt        'P b c a'
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2ac 2ab'
_symmetry_space_group_name_H-M   'P b c a'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   7.4742(11)
_cell_length_b                   5.9733(8)
_cell_length_c                   53.194(7)
_cell_measurement_temperature    298(2)
_cell_volume                     2374.9(6)
_diffrn_ambient_temperature      298(2)
_exptl_crystal_density_diffrn    1.366
_cod_database_code               7100495
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_7100496
_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 H15 N O2'
_chemical_formula_sum            'C14 H15 N O2'
_chemical_formula_weight         229.27
_chemical_melting_point          411
_chemical_name_common            'N,N-dimethyl-p-(p-hydroxyphenoxy) aniline'
_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                 98.084(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   18.654(4)
_cell_length_b                   13.836(3)
_cell_length_c                   9.885(2)
_cell_measurement_temperature    298(2)
_cell_volume                     2525.9(9)
_diffrn_ambient_temperature      298(2)
_exptl_crystal_density_diffrn    1.206
_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               7100496
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_7100497
_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 H10 N2 O'
_chemical_formula_sum            'C13 H10 N2 O'
_chemical_formula_weight         210.23
_chemical_melting_point          379
_chemical_name_common            '4-Amino-4'-cyanodiphenyl ether'
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 100.581(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   11.6484(19)
_cell_length_b                   5.6103(10)
_cell_length_c                   16.746(3)
_cell_measurement_temperature    298(2)
_cell_volume                     1075.7(3)
_diffrn_ambient_temperature      298(2)
_exptl_crystal_density_diffrn    1.298
_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               7100497
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_7100498
_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 H17 N O2'
_chemical_formula_sum            'C15 H17 N O2'
_chemical_formula_weight         243.30
_chemical_name_common            4-(4-methoxyphenoxy)-N,N-dimethyl-aniline
_space_group_IT_number           9
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  'C -2yc'
_symmetry_space_group_name_H-M   'C 1 c 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 96.738(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   28.046(5)
_cell_length_b                   7.5638(14)
_cell_length_c                   6.3222(12)
_cell_measurement_temperature    298(2)
_cell_volume                     1331.9(4)
_diffrn_ambient_temperature      298(2)
_exptl_crystal_density_diffrn    1.213
_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 c'
_cod_database_code               7100498
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_7100499
_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         'C20 H17 N O3'
_chemical_formula_sum            'C20 H17 N O3'
_chemical_formula_weight         319.35
_chemical_melting_point          430
_space_group_IT_number           33
_space_group_name_Hall           'P 2c -2n'
_space_group_name_H-M_alt        'P n a 21'
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'P 2c -2n'
_symmetry_space_group_name_H-M   'P n a 21'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   6.137(2)
_cell_length_b                   7.451(2)
_cell_length_c                   34.981(12)
_cell_measurement_temperature    298(2)
_cell_volume                     1599.5(9)
_diffrn_ambient_temperature      298(2)
_exptl_crystal_density_diffrn    1.326
_cod_original_sg_symbol_H-M      ' P n a 21'
_cod_database_code               7100499
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_7100500
_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 H10 O5'
_chemical_formula_sum            'C14 H10 O5'
_chemical_formula_weight         258.22
_chemical_melting_point          557
_chemical_name_common            '4,4'dicarboxylicdiphenyl ether'
_space_group_IT_number           61
_space_group_name_Hall           '-P 2ac 2ab'
_space_group_name_H-M_alt        'P b c a'
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2ac 2ab'
_symmetry_space_group_name_H-M   'P b c a'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   27.516(12)
_cell_length_b                   14.904(7)
_cell_length_c                   5.724(3)
_cell_measurement_temperature    298(2)
_cell_volume                     2347.4(18)
_diffrn_ambient_temperature      298(2)
_exptl_crystal_density_diffrn    1.461
_cod_original_sg_symbol_H-M      'Pbca '
_cod_database_code               7100500
Energetic salts of azotetrazolate, iminobis(5-tetrazolate) and 5, 5'-bis(tetrazolate)
J. M. Shreeve; Brendan Twamley; Ji-Chang Xiao.; Chengfeng Ye.; Chemical Communications  (2005) –; doi:10.1039/b502583d

data_7100501
_publ_section_title
;
Energetic salts of azotetrazolate,
iminobis(5-tetrazolate) and 5, 5'-bis(tetrazolate)
;
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/b502583d
_journal_year                    2005
_chemical_formula_sum            'C8 H14 N18'
_chemical_formula_weight         362.37
_space_group_IT_number           72
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-I 2 2c'
_symmetry_space_group_name_H-M   'I b a m'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   10.4301(13)
_cell_length_b                   23.494(3)
_cell_length_c                   6.0885(7)
_cell_measurement_temperature    86(2)
_cell_volume                     1491.9(3)
_diffrn_ambient_temperature      86(2)
_exptl_crystal_density_diffrn    1.613
_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_H-M      Ibam
_cod_database_code               7100501
Synthesis and crystal structure of a push-pull quinoidal porphyrin: a nanoporous framework assembled from cyclic trimer aggregates
H. L. Anderson; W. Clegg; Paul Fleitz; Kiet A. Nguyen; Ruth Pachter; Joy E. Rogers; M.J. Smith; Chemical Communications  (2005) –; doi:10.1039/b502776d

data_7100502
_publ_section_title
;
Synthesis and crystal structure of a push-pull
quinoidal porphyrin: a nanoporous framework assembled from cyclic trimer
aggregates
;
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/b502776d
_journal_year                    2005
_chemical_formula_moiety         'C58 H54 N6 S2 Zn, 6.5 C H4 O'
_chemical_formula_sum            'C64.5 H80 N6 O6.5 S2 Zn'
_chemical_formula_weight         1172.8
_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                63.913(2)
_cell_angle_beta                 84.532(2)
_cell_angle_gamma                81.473(2)
_cell_formula_units_Z            6
_cell_length_a                   20.792(3)
_cell_length_b                   24.707(3)
_cell_length_c                   25.188(3)
_cell_measurement_temperature    150(2)
_cell_volume                     11486(3)
_diffrn_ambient_temperature      150(2)
_exptl_crystal_density_diffrn    1.017
_cod_database_code               7100502
Optical Propeties of Donor-Acceptor Phenylene-Ethynylene Systems Containing the 6-Methylpyran-2-one Group as an Acceptor
Collings, Jonathan C.; Parsons, Alexander C.; Porres, Laurent; Beeby, Andrew; Batsanov, Andrei S.; Howard, Judith A. K.; Lydon, Donocadh P.; Low, Paul J.; Fairlamb, Ian J. S.; Marder, Todd B.; Chemical Communications  (2005) –; doi:10.1039/b502781k

data_7100503
_publ_section_title
;
Optical Propeties of Donor-Acceptor
Phenylene-Ethynylene Systems Containing the 6-Methylpyran-2-one Group as
an Acceptor
;
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/b502781k
_journal_year                    2005
_chemical_formula_moiety         'C16 H15 N O2'
_chemical_formula_sum            'C16 H15 N O2'
_chemical_formula_weight         253.29
_chemical_melting_point          427.0(10)
_chemical_name_common            4-phenylethynyl-6-methyl-\a-pyrone
_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                96.35(1)
_cell_angle_beta                 101.85(1)
_cell_angle_gamma                112.68(1)
_cell_formula_units_Z            2
_cell_length_a                   7.307(1)
_cell_length_b                   8.038(1)
_cell_length_c                   12.305(1)
_cell_measurement_temperature    120(2)
_cell_volume                     638.04(13)
_diffrn_ambient_temperature      120(2)
_exptl_crystal_density_diffrn    1.318
_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 '426-428' was changed to '427.0(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               7100503
Synthesis of novel palladium OCN-pincer complexes: Unprecedented sequential C(sp3)-H activation and aerobic oxidation in the reaction of N,N-dialkyl-3-[(N,N-dimethylamino)methyl]-2-iodoanilines with Pd2(dba)3
Daniel Sole; Merce Font-Bardia; Xavier Solans; Lluis Vallverdu; Chemical Communications  (2005) –; doi:10.1039/b502854j

data_7100504
_publ_section_title
;
Synthesis of novel palladium OCN-pincer complexes:
Unprecedented sequential C(sp3)-H activation and aerobic oxidation in the
reaction of N,N-dialkyl-3-[(N,N-dimethylamino)methyl]-2-iodoanilines
with Pd2(dba)3
;
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/b502854j
_journal_year                    2005
_chemical_formula_moiety         'C11 H15 I N2 O Pd'
_chemical_formula_sum            'C11 H15 I N2 O Pd'
_chemical_formula_weight         424.55
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yab'
_symmetry_space_group_name_H-M   'P 1 21/a 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 100.37(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   10.190(8)
_cell_length_b                   11.219(3)
_cell_length_c                   11.646(2)
_cell_measurement_temperature    293(2)
_cell_volume                     1309.6(11)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    2.153
_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/a'
_cod_database_code               7100504
Temperature-dependent supramolecular stereoisomerism in porous copper coordination networks based on a designed carboxylate ligand
Hong-Cai Zhou.; Yanxiong Ke.; Betty A. Ooro; Tracy M. Peterson; Daofeng Sun.; Chemical Communications  (2005) –; doi:10.1039/b505664k

data_7100505
_publ_section_title
;
Temperature-dependent supramolecular stereoisomerism
in porous copper coordination networks based on a designed carboxylate
ligand
;
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/b505664k
_journal_year                    2005
_chemical_formula_moiety         'Cu2 (C34 H20 N2 O8) 2(H2 O)'
_chemical_formula_sum            'C34 H24 Cu2 N2 O10'
_chemical_formula_weight         747.63
_space_group_IT_number           66
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-C 2 2c'
_symmetry_space_group_name_H-M   'C c c m'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   15.2563(12)
_cell_length_b                   28.288(2)
_cell_length_c                   23.5937(18)
_cell_measurement_temperature    293(2)
_cell_volume                     10182.2(14)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    0.488
_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               7100505