LMucko/crystallography-open-database huggingface dataset:
Dehydration of the nanoporous coordination framework ErIII[CoIII(CN)6]4H2O: single crystal to single crystal transformation and negative thermal expansion in ErIII[CoIII(CN)6]
T. Pretsch; K.W. Chapman; C.J. Kepert; Chemical Communications  (2006) –; doi:10.1039/b601344a

data_7100939
_publ_section_title
;
Dehydration of the nanoporous coordination framework
ErIII[CoIII(CN)6]4H2O: single crystal to single
crystal transformation and negative thermal
expansion in ErIII[CoIII(CN)6]
;
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/b601344a
_journal_year                    2006
_chemical_formula_moiety         'C6 H4 Co Er N6 O2, 2(H2 O)'
_chemical_formula_sum            'C6 H8 Co Er N6 O4'
_chemical_formula_weight         454.37
_chemical_name_common            erbium(iii)-hexacyanocobaltate(iii)tetrahydrate
_space_group_IT_number           63
_space_group_name_Hall           '-C 2c 2'
_space_group_name_H-M_alt        'C m c m'
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-C 2c 2'
_symmetry_space_group_name_H-M   'C m 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                   7.275(3)
_cell_length_b                   12.687(5)
_cell_length_c                   13.487(5)
_cell_measurement_temperature    375(2)
_cell_volume                     1244.8(8)
_diffrn_ambient_temperature      375(2)
_exptl_crystal_density_diffrn    2.425
_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               7100939
Facile Synthesis of Chiral Cyclic Oligothiazolines: A Novel Structural Motif of Macrocyclic Molecule
Tohru Fukuyama; Mui Cheung; Fu She Han; Hiroyuki Osajima; Hidetoshi Tokuyama; Chemical Communications  (2006) –; doi:10.1039/b601628f

data_7100940
_publ_section_title
;
Facile Synthesis of Chiral Cyclic Oligothiazolines: A
Novel Structural Motif of Macrocyclic Molecule
;
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/b601628f
_journal_year                    2006
_chemical_formula_moiety         'C34 H42 Cl6 N8 S8'
_chemical_formula_sum            'C34 H42 Cl6 N8 S8'
_chemical_formula_weight         1031.99
_space_group_IT_number           1
_space_group_name_Hall           'P 1'
_space_group_name_H-M_alt        'P 1'
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      1
_symmetry_space_group_name_Hall  'P 1'
_symmetry_space_group_name_H-M   'P 1'
_cell_angle_alpha                116.294(3)
_cell_angle_beta                 88.966(5)
_cell_angle_gamma                101.443(5)
_cell_formula_units_Z            1
_cell_length_a                   8.8700(4)
_cell_length_b                   12.0090(9)
_cell_length_c                   12.7440(9)
_cell_measurement_temperature    153(2)
_cell_volume                     1189.07(13)
_diffrn_ambient_temperature      153(2)
_exptl_crystal_density_diffrn    1.441
_cod_database_code               7100940
A10Tl6O2 (A = K, Rb), cluster compounds combining structural features of thallium cluster anions and of alkali-metal suboxides
A. Karpov; M. Jansen; Chemical Communications  (2006) –; doi:10.1039/b601802e

data_7100941
_publ_section_title
;
A10Tl6O2 (A = K, Rb), cluster compounds combining
structural features of thallium cluster anions and of alkali-metal
suboxides
;
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/b601802e
_journal_year                    2006
_chemical_formula_moiety         'K10, O2, Tl6'
_chemical_formula_sum            'K10 O2 Tl6'
_chemical_formula_weight         1649.22
_space_group_crystal_system      orthorhombic
_space_group_IT_number           63
_space_group_name_Hall           '-C 2c 2'
_space_group_name_H-M_alt        'C m 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                   8.3755(4)
_cell_length_b                   32.1025(13)
_cell_length_c                   8.8634(5)
_cell_measurement_temperature    273(2)
_cell_volume                     2383.1(2)
_diffrn_ambient_temperature      298(2)
_exptl_crystal_density_diffrn    4.597
_cod_depositor_comments
;
 Updating space group information.

 Antanas Vaitkus,
 2018-06-10
;
_cod_original_sg_symbol_Hall     -C_2c_2
_cod_database_code               7100941
A10Tl6O2 (A = K, Rb), cluster compounds combining structural features of thallium cluster anions and of alkali-metal suboxides
A. Karpov; M. Jansen; Chemical Communications  (2006) –; doi:10.1039/b601802e

data_7100942
_publ_section_title
;
A10Tl6O2 (A = K, Rb), cluster compounds combining
structural features of thallium cluster anions and of alkali-metal
suboxides
;
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/b601802e
_journal_year                    2006
_chemical_formula_moiety         'O2, Rb10, Tl6'
_chemical_formula_sum            'O2 Rb10 Tl6'
_chemical_formula_weight         2112.92
_space_group_crystal_system      orthorhombic
_space_group_IT_number           63
_space_group_name_Hall           '-C 2c 2'
_space_group_name_H-M_alt        'C m 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                   8.7176(1)
_cell_length_b                   33.2934(3)
_cell_length_c                   9.1242(1)
_cell_measurement_temperature    273(2)
_cell_volume                     2648.19(5)
_diffrn_ambient_temperature      298(2)
_exptl_crystal_density_diffrn    5.300
_cod_depositor_comments
;
 Updating space group information.

 Antanas Vaitkus,
 2018-06-10
;
_cod_original_sg_symbol_Hall     -C_2c_2
_cod_database_code               7100942
Polynuclear cyanoruthenate chromophores based on hexaaza-triphenylene containing up to twelve cyanides: photophysical and structural properties
Mike Ward; Harry Adams; Stephen Faulkner; Juan-Manuel Herrera; Simon J. A. Pope; Chemical Communications  (2006) –; doi:10.1039/b601876a

data_7100943
_publ_section_title
;
Polynuclear cyanoruthenate chromophores based on
hexaaza-triphenylene containing up to twelve cyanides: photophysical and
structural properties
;
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/b601876a
_journal_year                    2006
_chemical_formula_sum            'C24 H52 N18 Nd2 O23 Ru3'
_chemical_formula_weight         1552.53
_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                 101.834(4)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   8.7731(7)
_cell_length_b                   25.689(2)
_cell_length_c                   11.0330(9)
_cell_measurement_temperature    423(2)
_cell_volume                     2433.7(3)
_diffrn_ambient_temperature      150(2)
_exptl_crystal_density_diffrn    2.119
_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               7100943
Controlling the oxidation state of arsenic in cyclic arsenic cations
Alan H. Cowley; Gregor Reeske; Chemical Communications  (2006) –; doi:10.1039/b602017h

data_7100944
_publ_section_title
;
Controlling the oxidation state of arsenic in cyclic arsenic cations
;
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/b602017h
_journal_year                    2006
_chemical_formula_moiety         'C33 H43 As N3, As I4'
_chemical_formula_sum            'C33 H43 As2 I4 N3'
_chemical_formula_weight         1139.14
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_cell_angle_alpha                105.32(3)
_cell_angle_beta                 98.94(3)
_cell_angle_gamma                107.50(3)
_cell_formula_units_Z            2
_cell_length_a                   10.668(2)
_cell_length_b                   14.692(3)
_cell_length_c                   17.074(3)
_cell_measurement_temperature    153(2)
_cell_volume                     2380.0(11)
_diffrn_ambient_temperature      153(2)
_exptl_crystal_density_diffrn    1.590
_cod_database_code               7100944
Controlling the oxidation state of arsenic in cyclic arsenic cations
Alan H. Cowley; Gregor Reeske; Chemical Communications  (2006) –; doi:10.1039/b602017h

data_7100945
_publ_section_title
;
Controlling the oxidation state of arsenic in cyclic arsenic cations
;
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/b602017h
_journal_year                    2006
_chemical_formula_moiety         'C33 H43 As N3, C4 H8 Cl5 O Sn'
_chemical_formula_sum            'C37 H51 As Cl5 N3 O Sn'
_chemical_formula_weight         924.69
_space_group_IT_number           62
_space_group_name_Hall           '-P 2ac 2n'
_space_group_name_H-M_alt        'P n m a'
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   25.951(5)
_cell_length_b                   23.306(5)
_cell_length_c                   17.579(4)
_cell_measurement_temperature    153(2)
_cell_volume                     10632(4)
_diffrn_ambient_temperature      153(2)
_exptl_crystal_density_diffrn    1.155
_cod_original_sg_symbol_Hall     -P2ac2n
_cod_database_code               7100945
Controlling the oxidation state of arsenic in cyclic arsenic cations
Alan H. Cowley; Gregor Reeske; Chemical Communications  (2006) –; doi:10.1039/b602017h

data_7100946
_publ_section_title
;
Controlling the oxidation state of arsenic in cyclic arsenic cations
;
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/b602017h
_journal_year                    2006
_chemical_formula_moiety         'C20 H24 As N2, C4 H8 Cl5 O Sn'
_chemical_formula_sum            'C24 H32 As Cl5 N2 O Sn'
_chemical_formula_weight         735.40
_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                 91.97(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   18.497(4)
_cell_length_b                   15.947(3)
_cell_length_c                   20.677(4)
_cell_measurement_temperature    153(2)
_cell_volume                     6096(2)
_diffrn_ambient_temperature      153(2)
_exptl_crystal_density_diffrn    1.603
_cod_original_sg_symbol_Hall     -p2ybc
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_original_formula_sum        'C24 H32 As Cl5 N2 O Sn '
_cod_database_code               7100946
Diplatinum Alkynyl Chromophores as Sensitizers for Lanthanide Luminescence in Pt2Ln2 and Pt2Ln4 (Ln = Eu, Nd, Yb) Arrays with Acetylide-functionalized Bipyridine/Phenanthroline
Zhong-Ning Chen.; En Ma.; Lin-Xi Shi.; Qiao-Hua Wei.; Ha-Bing Xu.; Li-Yi Zhang; Chemical Communications  (2006) –; doi:10.1039/b602222g

data_7100947
_publ_section_title
;
Diplatinum Alkynyl Chromophores as Sensitizers for
Lanthanide Luminescence in Pt2Ln2 and Pt2Ln4 (Ln = Eu, Nd, Yb) Arrays
with Acetylide-functionalized Bipyridine/Phenanthroline
;
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/b602222g
_journal_year                    2006
_chemical_formula_sum            'C129 H84 Cl2 F36 N8 Nd2 O14 P4 Pt2'
_chemical_formula_weight         3527.48
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                74.003(9)
_cell_angle_beta                 86.643(11)
_cell_angle_gamma                81.395(7)
_cell_formula_units_Z            1
_cell_length_a                   12.2377(8)
_cell_length_b                   16.6660(5)
_cell_length_c                   18.6127(10)
_cell_measurement_temperature    293(2)
_cell_volume                     3607.4(3)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.624
_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               7100947
Diplatinum Alkynyl Chromophores as Sensitizers for Lanthanide Luminescence in Pt2Ln2 and Pt2Ln4 (Ln = Eu, Nd, Yb) Arrays with Acetylide-functionalized Bipyridine/Phenanthroline
Zhong-Ning Chen.; En Ma.; Lin-Xi Shi.; Qiao-Hua Wei.; Ha-Bing Xu.; Li-Yi Zhang; Chemical Communications  (2006) –; doi:10.1039/b602222g

data_7100948
_publ_section_title
;
Diplatinum Alkynyl Chromophores as Sensitizers for
Lanthanide Luminescence in Pt2Ln2 and Pt2Ln4 (Ln = Eu, Nd, Yb) Arrays
with Acetylide-functionalized Bipyridine/Phenanthroline
;
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/b602222g
_journal_year                    2006
_chemical_formula_sum            'C129 H84 Cl2 Eu2 F36 N8 O14 P4 Pt2'
_chemical_formula_weight         3542.92
_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                74.044(6)
_cell_angle_beta                 86.762(7)
_cell_angle_gamma                81.395(6)
_cell_formula_units_Z            1
_cell_length_a                   12.2358(5)
_cell_length_b                   16.55870(10)
_cell_length_c                   18.6088(3)
_cell_measurement_temperature    293(2)
_cell_volume                     3583.78(16)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.642
_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               7100948
Diplatinum Alkynyl Chromophores as Sensitizers for Lanthanide Luminescence in Pt2Ln2 and Pt2Ln4 (Ln = Eu, Nd, Yb) Arrays with Acetylide-functionalized Bipyridine/Phenanthroline
Zhong-Ning Chen.; En Ma.; Lin-Xi Shi.; Qiao-Hua Wei.; Ha-Bing Xu.; Li-Yi Zhang; Chemical Communications  (2006) –; doi:10.1039/b602222g

data_7100949
_publ_section_title
;
Diplatinum Alkynyl Chromophores as Sensitizers for
Lanthanide Luminescence in Pt2Ln2 and Pt2Ln4 (Ln = Eu, Nd, Yb) Arrays
with Acetylide-functionalized Bipyridine/Phenanthroline
;
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/b602222g
_journal_year                    2006
_chemical_formula_sum            'C172 H99 Eu4 F72 N8 O25.5 P4 Pt2'
_chemical_formula_weight         5175.49
_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                 98.496(9)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   27.918(9)
_cell_length_b                   28.632(8)
_cell_length_c                   26.513(8)
_cell_measurement_temperature    293(2)
_cell_volume                     20961(11)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.640
_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_original_formula_sum        'C172 H99 Eu4 F72 N8 O25.50 P4 Pt2'
_cod_database_code               7100949
Construction of Triangular Alkyne Metallomacrocycles: [M3(1,2-Bis(2,2':6',2''-terpyridin-4-ylethynyl)benzene)3][M= Fe(II), Ru(II)]
George Newkome; Luis Echegoyen; Frank R. Fronczek; Seok-Ho Hwang; Olena Lukoyanova; Charles N. Moorfield; Chemical Communications  (2005) –; doi:10.1039/b409348h

data_7100950
_publ_section_title
;
Construction of Triangular Alkyne
Metallomacrocycles:
[M3(1,2-Bis(2,2':6',2''-terpyridin-4-ylethynyl)benzene)3][M= Fe(II),
Ru(II)]
;
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/b409348h
_journal_year                    2005
_chemical_formula_moiety         'C40 H24 N6'
_chemical_formula_sum            'C40 H24 N6'
_chemical_formula_weight         588.65
_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                68.247(5)
_cell_angle_beta                 75.799(5)
_cell_angle_gamma                66.262(7)
_cell_formula_units_Z            2
_cell_length_a                   10.8137(10)
_cell_length_b                   12.4510(10)
_cell_length_c                   13.061(2)
_cell_measurement_temperature    102
_cell_volume                     1485.6(3)
_diffrn_ambient_temperature      102
_exptl_crystal_density_diffrn    1.316
_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               7100950
Xuan Jiang.; J.C.Bollinger; Mu-Hyun Baik.; Dongwhan Lee.; Chemical Communications  (2005) –; doi:10.1039/b412152j

data_7100951
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/b412152j
_journal_year                    2005
_chemical_formula_moiety         '2(C76 H64 Cu4 N4), C H2 Cl2, C5 H12'
_chemical_formula_sum            'C158 H142 Cl2 Cu8 N8'
_chemical_formula_weight         2732.20
_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                83.271(12)
_cell_angle_beta                 74.874(14)
_cell_angle_gamma                74.361(12)
_cell_formula_units_Z            1
_cell_length_a                   13.666(3)
_cell_length_b                   14.295(2)
_cell_length_c                   19.401(5)
_cell_measurement_temperature    112(2)
_cell_volume                     3518.8(14)
_diffrn_ambient_temperature      112(2)
_exptl_crystal_density_diffrn    1.289
_cod_database_code               7100951
Xuan Jiang.; J.C.Bollinger; Mu-Hyun Baik.; Dongwhan Lee.; Chemical Communications  (2005) –; doi:10.1039/b412152j

data_7100952
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/b412152j
_journal_year                    2005
_chemical_formula_moiety         'C46 H46 Cu2 N4'
_chemical_formula_sum            'C46 H46 Cu2 N4'
_chemical_formula_weight         781.95
_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                 91.315(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   10.9223(8)
_cell_length_b                   14.8184(11)
_cell_length_c                   11.8480(9)
_cell_measurement_temperature    119(2)
_cell_volume                     1917.1(2)
_diffrn_ambient_temperature      119(2)
_exptl_crystal_density_diffrn    1.355
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               7100952
Xuan Jiang.; J.C.Bollinger; Mu-Hyun Baik.; Dongwhan Lee.; Chemical Communications  (2005) –; doi:10.1039/b412152j

data_7100953
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/b412152j
_journal_year                    2005
_chemical_formula_moiety         'C50 H52 Cu2 N6 +, F6 Sb -, C2 H4 Cl2'
_chemical_formula_sum            'C52 H56 Cl2 Cu2 F6 N6 Sb'
_chemical_formula_weight         1198.80
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-I 2ya'
_symmetry_space_group_name_H-M   'I 1 2/a 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 103.516(4)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   22.385(4)
_cell_length_b                   10.4127(18)
_cell_length_c                   22.665(4)
_cell_measurement_temperature    115(2)
_cell_volume                     5136.6(16)
_diffrn_ambient_temperature      115(2)
_exptl_crystal_density_diffrn    1.550
_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      'I 2/a'
_cod_database_code               7100953