LMucko/crystallography-open-database huggingface dataset:
A Quinhydrone-Type 2:1 Acceptor-Donor Charge Transfer Complex Obtained Via a Solvent-free Reaction
M. Bouvet; B. Malezieux; P. Herson; Chemical Communications  (2006) –; doi:10.1039/b600345a

data_7100912
_publ_section_title
;
A Quinhydrone-Type 2:1 Acceptor-Donor Charge Transfer Complex Obtained
Via a Solvent-free Reaction
;
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/b600345a
_journal_year                    2006
_chemical_formula_moiety         'C14 H12 O6, C6 H6 O2'
_chemical_formula_sum            'C20 H18 O8'
_chemical_formula_weight         386.36
_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                69.157(13)
_cell_angle_beta                 69.931(19)
_cell_angle_gamma                81.34(2)
_cell_formula_units_Z            1
_cell_length_a                   6.6793(14)
_cell_length_b                   8.117(2)
_cell_length_c                   9.238(2)
_cell_measurement_temperature    200
_cell_volume                     439.42(19)
_diffrn_ambient_temperature      200
_exptl_crystal_density_diffrn    1.460
_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_sg_symbol_H-M      'P -1 '
_cod_database_code               7100912
A new Co(II) coordination solid with mixed oxygen, carboxylate, pyridine and thiolate donors exhibiting canted antiferromagnetism with TC ? 68 K.
Paul Wood; Antonio Alberola; Carlos J. Gomez Garcia; Simon Humphrey; Chemical Communications  (2006) –; doi:10.1039/b600347h

data_7100913
_publ_section_title
;
A new Co(II) coordination solid with mixed oxygen,
carboxylate, pyridine and thiolate donors exhibiting canted antiferromagnetism
with TC ? 68 K.
;
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/b600347h
_journal_year                    2006
_chemical_formula_moiety         'C24 H14 Co4 N4 O9 S4'
_chemical_formula_sum            'C24 H14 Co4 N4 O9 S4'
_chemical_formula_weight         866.35
_chemical_name_common
'tetracobalt(ii)tetra-2-mercaptonicotinate hydrate'
_space_group_IT_number           29
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'P 2c -2ac'
_symmetry_space_group_name_H-M   'P c 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                   20.8760(6)
_cell_length_b                   12.3647(2)
_cell_length_c                   10.9125(2)
_cell_measurement_temperature    180(2)
_cell_volume                     2816.79(11)
_diffrn_ambient_temperature      180(2)
_exptl_crystal_density_diffrn    2.043
_cod_database_code               7100913
First example of ice-like boat water hexamer tape structure in a supramolecular organic host
A. Nangia; Binoy K. Saha; Chemical Communications  (2006) –; doi:10.1039/b600348f

data_7100914
_publ_section_title
;
First example of ice-like boat water hexamer tape
structure in a supramolecular organic host
;
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/b600348f
_journal_year                    2006
_chemical_formula_moiety         'C6 H4 Br2 O3, 4(H2 O)'
_chemical_formula_sum            'C6 H12 Br2 O7'
_chemical_formula_weight         355.98
_chemical_name_common            'dibromophloroglucinol, tetrahydrate'
_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                 111.4500(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   16.0309(12)
_cell_length_b                   10.6848(8)
_cell_length_c                   7.3246(5)
_cell_measurement_temperature    100(2)
_cell_volume                     1167.71(15)
_diffrn_ambient_temperature      100(2)
_exptl_crystal_density_diffrn    2.025
_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               7100914
First example of ice-like boat water hexamer tape structure in a supramolecular organic host
A. Nangia; Binoy K. Saha; Chemical Communications  (2006) –; doi:10.1039/b600348f

data_7100915
_publ_section_title
;
First example of ice-like boat water hexamer tape
structure in a supramolecular organic host
;
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/b600348f
_journal_year                    2006
_chemical_formula_moiety         'C6 H4 Br2 O3, 4(H2 O)'
_chemical_formula_sum            'C6 H12 Br2 O7'
_chemical_formula_weight         355.98
_chemical_name_common            'dibromophloroglucinol, tetrahydrate'
_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                 111.354(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   16.135(4)
_cell_length_b                   10.740(2)
_cell_length_c                   7.4390(17)
_cell_measurement_temperature    298(2)
_cell_volume                     1200.5(5)
_diffrn_ambient_temperature      298(2)
_exptl_crystal_density_diffrn    1.970
_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               7100915
First example of ice-like boat water hexamer tape structure in a supramolecular organic host
A. Nangia; Binoy K. Saha; Chemical Communications  (2006) –; doi:10.1039/b600348f

data_7100916
_publ_section_title
;
First example of ice-like boat water hexamer tape
structure in a supramolecular organic host
;
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/b600348f
_journal_year                    2006
_chemical_formula_moiety         'C6 H4 Br2 O3'
_chemical_formula_sum            'C6 H4 Br2 O3'
_chemical_formula_weight         283.91
_chemical_name_common            dibromophloroglucinol
_space_group_IT_number           60
_space_group_name_Hall           '-P 2n 2ab'
_space_group_name_H-M_alt        'P b c n'
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2n 2ab'
_symmetry_space_group_name_H-M   'P b c n'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   5.4011(5)
_cell_length_b                   12.8974(13)
_cell_length_c                   10.9478(11)
_cell_measurement_temperature    298(2)
_cell_volume                     762.63(13)
_diffrn_ambient_temperature      298(2)
_exptl_crystal_density_diffrn    2.473
_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               7100916
Molecular Assembling Using Axial Phenolate on Iron N-Confused Porphyrin Complex
Chen-Hsiung Hung; Chia-Hou Chang; Wei-Ming Ching; Chuan-Hung Chuang; Chemical Communications  (2006) –; doi:10.1039/b600423g

data_7100917
_publ_section_title
;
Molecular Assembling Using Axial Phenolate on Iron
N-Confused Porphyrin Complex
;
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/b600423g
_journal_year                    2006
_chemical_formula_sum            'C118 H100 Cl4 Fe2 N8 Na2 O6'
_chemical_formula_weight         2025.54
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                75.423(2)
_cell_angle_beta                 87.871(2)
_cell_angle_gamma                88.046(2)
_cell_formula_units_Z            1
_cell_length_a                   13.2565(14)
_cell_length_b                   13.3978(14)
_cell_length_c                   14.8122(16)
_cell_measurement_temperature    150(2)
_cell_volume                     2543.5(5)
_diffrn_ambient_temperature      150(2)
_exptl_crystal_density_diffrn    1.322
_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               7100917
Bromoiodinanes with an I(III)-Br bond: preparation, X-ray crystallography and reactivity as electrophilic brominating agents
C.Braddock; Gemma Cansell; Stephen Hermitage; Andrew J. P. White; Chemical Communications  (2006) –; doi:10.1039/b600455e

data_7100918
_publ_section_title
;
Bromoiodinanes with an I(III)-Br bond: preparation,
X-ray crystallography and reactivity as electrophilic brominating agents
;
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/b600455e
_journal_year                    2006
_chemical_formula_sum            'C9 H4 Br F6 I O'
_chemical_formula_weight         448.93
_space_group_IT_number           61
_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                   9.663(3)
_cell_length_b                   14.7448(17)
_cell_length_c                   16.435(3)
_cell_measurement_temperature    203(2)
_cell_volume                     2341.6(8)
_diffrn_ambient_temperature      203(2)
_exptl_crystal_density_diffrn    2.547
_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               7100918
Bromoiodinanes with an I(III)-Br bond: preparation, X-ray crystallography and reactivity as electrophilic brominating agents
C.Braddock; Gemma Cansell; Stephen Hermitage; Andrew J. P. White; Chemical Communications  (2006) –; doi:10.1039/b600455e

data_7100919
_publ_section_title
;
Bromoiodinanes with an I(III)-Br bond: preparation,
X-ray crystallography and reactivity as electrophilic brominating agents
;
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/b600455e
_journal_year                    2006
_chemical_formula_sum            'C9 H10 Br I O'
_chemical_formula_weight         340.98
_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                106.812(12)
_cell_angle_beta                 91.202(18)
_cell_angle_gamma                114.00(2)
_cell_formula_units_Z            2
_cell_length_a                   8.115(2)
_cell_length_b                   8.2108(17)
_cell_length_c                   9.1784(19)
_cell_measurement_temperature    203(2)
_cell_volume                     528.1(2)
_diffrn_ambient_temperature      203(2)
_exptl_crystal_density_diffrn    2.144
_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               7100919
Organocatalytic and Direct Asymmetric Vinylogous Michael Addition of α,α-Dicyanoolefins to α,β-Unsaturated Aldehydes
Xie, Jian-Wu; Yue, Lei; Xue, Dong; Ma, Xiao-Li; Chen, Ying-Chun; Wu, Yong; Zhu, Jin; Deng, Jin-Gen; Chemical Communications  (2006) 1563–1565; doi:10.1039/b600647g

data_7100920
_publ_section_title
;
Organocatalytic and Direct Asymmetric Vinylogous Michael 
Addition of \a,\a-Dicyanoolefins to \a,\b-Unsaturated Aldehydes
;
_journal_name_full               'Chemical Communications'
_journal_page_first              1563
_journal_page_last               1565
_journal_paper_doi               10.1039/b600647g
_journal_year                    2006
_chemical_formula_sum            'C17 H16 N2 O'
_chemical_formula_weight         264.32
_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                   6.076(1)
_cell_length_b                   13.777(3)
_cell_length_c                   17.439(3)
_cell_measurement_temperature    296(2)
_cell_volume                     1459.74(51)
_diffrn_ambient_temperature      296(2)
_exptl_crystal_density_diffrn    1.203
_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               7100920
Organocatalytic and Direct Asymmetric Vinylogous Michael Addition of α,α-Dicyanoolefins to α,β-Unsaturated Aldehydes
Xie, Jian-Wu; Yue, Lei; Xue, Dong; Ma, Xiao-Li; Chen, Ying-Chun; Wu, Yong; Zhu, Jin; Deng, Jin-Gen; Chemical Communications  (2006) 1563–1565; doi:10.1039/b600647g

data_7100921
_publ_section_title
;
Organocatalytic and Direct Asymmetric Vinylogous Michael 
Addition of \a,\a-Dicyanoolefins to \a,\b-Unsaturated Aldehydes
;
_journal_name_full               'Chemical Communications'
_journal_page_first              1563
_journal_page_last               1565
_journal_paper_doi               10.1039/b600647g
_journal_year                    2006
_chemical_formula_sum            'C16 H14 N2 O S'
_chemical_formula_weight         282.35
_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                 97.25(1)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   7.534(1)
_cell_length_b                   7.610(1)
_cell_length_c                   12.685(1)
_cell_measurement_temperature    296(2)
_cell_volume                     721.52(14)
_diffrn_ambient_temperature      296(2)
_exptl_crystal_density_diffrn    1.300
_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               7100921
Organocatalytic and Direct Asymmetric Vinylogous Michael Addition of α,α-Dicyanoolefins to α,β-Unsaturated Aldehydes
Xie, Jian-Wu; Yue, Lei; Xue, Dong; Ma, Xiao-Li; Chen, Ying-Chun; Wu, Yong; Zhu, Jin; Deng, Jin-Gen; Chemical Communications  (2006) 1563–1565; doi:10.1039/b600647g

data_7100922
_publ_section_title
;
Organocatalytic and Direct Asymmetric Vinylogous Michael 
Addition of \a,\a-Dicyanoolefins to \a,\b-Unsaturated Aldehydes
;
_journal_name_full               'Chemical Communications'
_journal_page_first              1563
_journal_page_last               1565
_journal_paper_doi               10.1039/b600647g
_journal_year                    2006
_chemical_formula_sum            'C22 H18 N2 O'
_chemical_formula_weight         326.38
_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                 97.72(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   15.603(4)
_cell_length_b                   6.159(1)
_cell_length_c                   18.040(4)
_cell_measurement_temperature    296(2)
_cell_volume                     1717.96(73)
_diffrn_ambient_temperature      296(2)
_exptl_crystal_density_diffrn    1.262
_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               7100922
Fatigue-resistant photochromic dithienylethenes by controlling the oxidation state
Sung Yang.; Kwang-Hyun Ahn.; Yong-Chul Jeong.; Eunkyoung Kim.; Chemical Communications  (2006) –; doi:10.1039/b600754f

data_7100923
_publ_section_title
;
Fatigue-resistant photochromic dithienylethenes by
controlling the oxidation state
;
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/b600754f
_journal_year                    2006
_chemical_formula_sum            'C23 H14 F6 O2 S2'
_chemical_formula_weight         500.46
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                86.419(15)
_cell_angle_beta                 76.057(13)
_cell_angle_gamma                74.297(13)
_cell_formula_units_Z            2
_cell_length_a                   8.1239(14)
_cell_length_b                   10.7442(19)
_cell_length_c                   13.125(2)
_cell_measurement_temperature    293(2)
_cell_volume                     1070.3(3)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.553
_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               7100923
Fatigue-resistant photochromic dithienylethenes by controlling the oxidation state
Sung Yang.; Kwang-Hyun Ahn.; Yong-Chul Jeong.; Eunkyoung Kim.; Chemical Communications  (2006) –; doi:10.1039/b600754f

data_7100924
_publ_section_title
;
Fatigue-resistant photochromic dithienylethenes by
controlling the oxidation state
;
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/b600754f
_journal_year                    2006
_chemical_formula_sum            'C17 H14 F6 O2 S2'
_chemical_formula_weight         428.40
_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                 105.828(17)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   13.078(3)
_cell_length_b                   6.433(2)
_cell_length_c                   22.410(6)
_cell_measurement_temperature    291(2)
_cell_volume                     1814.0(9)
_diffrn_ambient_temperature      291(2)
_exptl_crystal_density_diffrn    1.569
_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               7100924
An iron(III) phosphonate cluster containing a nonanuclear ring
Li-Min Zheng.; Silvio Decurtins; Wenxin Du.; Yi-Zhi Li.; Y.-S.Ma; You Song.; O. Waldmann; Jun-Jie Wang.; Xin-Quan Xin.; H.-C. Yao; Chemical Communications  (2006) –; doi:10.1039/b600763e

data_7100925
_publ_section_title
;
An iron(III) phosphonate cluster containing a
nonanuclear ring
;
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/b600763e
_journal_year                    2006
_chemical_formula_sum            'C108 H151 Fe9 N12 O39 P8'
_chemical_formula_weight         2991.82
_space_group_IT_number           5
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  'C 2y'
_symmetry_space_group_name_H-M   'C 1 2 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 118.4620(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   26.2680(6)
_cell_length_b                   18.9292(5)
_cell_length_c                   16.8729(4)
_cell_measurement_temperature    293(2)
_cell_volume                     7375.7(3)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.347
_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'
_cod_database_code               7100925