LMucko/crystallography-open-database huggingface dataset:
Triol protection with 6-benzoyl-3,4-dihydro-(2H)-pyran
B. Rawlings; Caroline D. L. Baker; John Fawcett; Christopher D. Insley; Derek S. Messenger; C.L.Newland; Helen L. Overend; Anup K. B. Patel; Mufakhrul Shah; Bhavna Vara; Davinder Virdee; Chemical Communications  (2005) –; doi:10.1039/b418035f

data_7100374
_publ_section_title
;
Triol protection with 6-benzoyl-3,4-dihydro-(2H)-pyran
;
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/b418035f
_journal_year                    2005
_chemical_formula_sum            'C23 H23 N O8'
_chemical_formula_weight         441.42
_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                 109.64(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   34.238(8)
_cell_length_b                   6.778(2)
_cell_length_c                   18.623(10)
_cell_measurement_temperature    140(2)
_cell_volume                     4070(3)
_diffrn_ambient_temperature      140(2)
_exptl_crystal_density_diffrn    1.441
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               7100374
A unique tetramer of 4:5 b-cyclodextrin-ferrocene in the solid state
Yu Liu; Hai-Bin Song; Heng-Yi Zhang; Rui-Qin Zhong; Chemical Communications  (2005) –; doi:10.1039/b418220k

data_7100375
_publ_section_title
;
A unique tetramer of 4:5 b-cyclodextrin-ferrocene in
the solid state
;
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/b418220k
_journal_year                    2005
_chemical_formula_sum            'C109 H194 Fe2.5 O84.5'
_chemical_formula_weight         2996.27
_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                 93.963(5)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   19.378(5)
_cell_length_b                   24.094(6)
_cell_length_c                   32.776(9)
_cell_measurement_temperature    293(2)
_cell_volume                     15266(7)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.304
_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_original_formula_sum        'C109 H194 Fe2.50 O84.50'
_cod_database_code               7100375
Tunable solid-state fluorescence system consisted of organic salts of anthracene-2,6-disulfnic acid with primary amines
Y. Mizobe; N. Tohnai; M. Miyata; Y. Hasegawa; Chemical Communications  (2005) –; doi:10.1039/b418241c

data_7100376
_publ_section_title
;
Tunable solid-state fluorescence system consisted of
organic salts of anthracene-2,6-disulfnic acid with primary amines
;
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/b418241c
_journal_year                    2005
_chemical_formula_sum            'C8 H10 N O3 S'
_chemical_formula_weight         200.23
_chemical_name_common            'methylammonium anthracene-2,6-disulfonate'
_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
_cell_angle_beta                 99.20(6)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   12.028(9)
_cell_length_b                   5.654(4)
_cell_length_c                   12.89(1)
_cell_measurement_temperature    93.2
_cell_volume                     865(1)
_exptl_crystal_density_diffrn    1.537
_cod_original_sg_symbol_H-M      'P 21/a'
_cod_database_code               7100376
; Chemical Communications  (2005) –; doi:10.1039/b418241c

data_7100377
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/b418241c
_journal_year                    2005
_chemical_formula_sum            'C9 H12 N O3 S'
_chemical_formula_weight         214.26
_chemical_name_common            'ethylammonium anthracene-2,6-disulfonate'
_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
_cell_angle_beta                 99.48(1)
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   35.574(5)
_cell_length_b                   7.465(1)
_cell_length_c                   7.659(1)
_cell_measurement_temperature    213.2
_cell_volume                     2006.3(5)
_exptl_crystal_density_diffrn    1.419
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               7100377
; Chemical Communications  (2005) –; doi:10.1039/b418241c

data_7100378
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/b418241c
_journal_year                    2005
_chemical_formula_sum            'C12 H18 N O3 S'
_chemical_formula_weight         256.34
_chemical_name_common            'n-amylammonium anthracene-2,6-disulfonate'
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                77.02(2)
_cell_angle_beta                 82.659(8)
_cell_angle_gamma                86.15(2)
_cell_formula_units_Z            2
_cell_length_a                   5.925(3)
_cell_length_b                   7.508(4)
_cell_length_c                   14.947(4)
_cell_measurement_temperature    213.2
_cell_volume                     642.1(5)
_exptl_crystal_density_diffrn    1.326
_cod_database_code               7100378
Thermally stable potassium N-heterocyclic carbene complexes with alkoxide ligands, and a polymeric crystal structure with distorted, bridging carbenes
Polly Arnold; Mark Rodden; Claire Wilson; Chemical Communications  (2005) –; doi:10.1039/b418302a

data_7100379
_publ_section_title
;
Thermally stable potassium N-heterocyclic carbene
complexes with alkoxide ligands, and a polymeric crystal structure with
distorted, bridging carbenes
;
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/b418302a
_journal_year                    2005
_chemical_formula_sum            'C84 H144 K8 N16 O93'
_chemical_formula_weight         1834.96
_space_group_IT_number           1
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  'P 1'
_symmetry_space_group_name_H-M   'P 1'
_cell_angle_alpha                101.281(4)
_cell_angle_beta                 97.104(4)
_cell_angle_gamma                102.741(4)
_cell_formula_units_Z            1
_cell_length_a                   10.675(3)
_cell_length_b                   13.281(3)
_cell_length_c                   19.726(5)
_cell_measurement_temperature    150(2)
_cell_volume                     2634.1(12)
_diffrn_ambient_temperature      150(2)
_exptl_crystal_density_diffrn    1.157
_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               7100379
Supramolecular isomers in the same crystal: a new type of polycatenation involving ribbons of rings and 2D square networks polycatenated in 3D architecture
Baolong Li; Li Baozong; Peng Yanfen; Zhang Yong; Chemical Communications  (2005) –; doi:10.1039/b418392d

data_7100380
_publ_section_title
;
Supramolecular isomers in the same crystal: a new type
of polycatenation involving ribbons of rings and 2D square networks
polycatenated in 3D architecture
;
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/b418392d
_journal_year                    2005
_chemical_formula_sum            'C72 H87.5 B6 Cd3 F24 N36 O7.75'
_chemical_formula_weight         2439.34
_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                 95.943(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   14.5472(14)
_cell_length_b                   24.032(2)
_cell_length_c                   14.8451(14)
_cell_measurement_temperature    193.15
_cell_volume                     5161.9(8)
_diffrn_ambient_temperature      193.15
_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/n'
_cod_original_formula_sum        'C72 H87.50 B6 Cd3 F24 N36 O7.75'
_cod_database_code               7100380
Supramolecular isomers in the same crystal: a new type of polycatenation involving ribbons of rings and 2D square networks polycatenated in 3D architecture
Baolong Li; Li Baozong; Peng Yanfen; Zhang Yong; Chemical Communications  (2005) –; doi:10.1039/b418392d

data_7100381
_publ_section_title
;
Supramolecular isomers in the same crystal: a new type
of polycatenation involving ribbons of rings and 2D square networks
polycatenated in 3D architecture
;
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/b418392d
_journal_year                    2005
_chemical_formula_sum            'C33 H49 B2 Cd F8 N15 O5'
_chemical_formula_weight         1021.89
_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                82.925(3)
_cell_angle_beta                 88.436(3)
_cell_angle_gamma                77.008(2)
_cell_formula_units_Z            2
_cell_length_a                   9.9995(4)
_cell_length_b                   11.6029(5)
_cell_length_c                   20.2826(10)
_cell_measurement_temperature    193.15
_cell_volume                     2275.55(17)
_diffrn_ambient_temperature      193.15
_exptl_crystal_density_diffrn    1.491
_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               7100381
Supramolecular isomers in the same crystal: a new type of polycatenation involving ribbons of rings and 2D square networks polycatenated in 3D architecture
Baolong Li; Li Baozong; Peng Yanfen; Zhang Yong; Chemical Communications  (2005) –; doi:10.1039/b418392d

data_7100382
_publ_section_title
;
Supramolecular isomers in the same crystal: a new type
of polycatenation involving ribbons of rings and 2D square networks
polycatenated in 3D architecture
;
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/b418392d
_journal_year                    2005
_chemical_formula_sum            'C24 H32 Cd Cl2 N12 O12'
_chemical_formula_weight         863.92
_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                 118.91(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   15.744(3)
_cell_length_b                   16.954(3)
_cell_length_c                   14.824(3)
_cell_measurement_temperature    193.15
_cell_volume                     3463.7(12)
_diffrn_ambient_temperature      193.15
_exptl_crystal_density_diffrn    1.657
_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               7100382
Supramolecular isomers in the same crystal: a new type of polycatenation involving ribbons of rings and 2D square networks polycatenated in 3D architecture
Baolong Li; Li Baozong; Peng Yanfen; Zhang Yong; Chemical Communications  (2005) –; doi:10.1039/b418392d

data_7100383
_publ_section_title
;
Supramolecular isomers in the same crystal: a new type
of polycatenation involving ribbons of rings and 2D square networks
polycatenated in 3D architecture
;
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/b418392d
_journal_year                    2005
_chemical_formula_sum            'C33 H49 Cd Cl2 N15 O13'
_chemical_formula_weight         1047.17
_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                89.544(5)
_cell_angle_beta                 71.742(4)
_cell_angle_gamma                82.640(4)
_cell_formula_units_Z            2
_cell_length_a                   11.6707(7)
_cell_length_b                   14.1256(11)
_cell_length_c                   14.9212(9)
_cell_measurement_temperature    193.15
_cell_volume                     2315.4(3)
_diffrn_ambient_temperature      193.15
_exptl_crystal_density_diffrn    1.502
_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               7100383
Second-Generation Organocatalysts for the Highly Enantioselective Dynamic Kinetic Resolution of Azlactones
Albrecht Berkessel; Felix Cleeman; Johann Lex; Santanu Mukherjee; Thomas N. Muller; Chemical Communications  (2005) –; doi:10.1039/b418666d

data_7100384
_publ_section_title
;
Second-Generation Organocatalysts for the Highly
Enantioselective Dynamic Kinetic Resolution of Azlactones
;
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/b418666d
_journal_year                    2005
_chemical_formula_sum            'C19 H38 N4 O S'
_chemical_formula_weight         370.59
_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.
_cell_angle_beta                 100.81(1)
_cell_angle_gamma                90.
_cell_formula_units_Z            4
_cell_length_a                   11.702(1)
_cell_length_b                   13.351(1)
_cell_length_c                   14.156(1)
_cell_measurement_temperature    100(2)
_cell_volume                     2172.4(3)
_diffrn_ambient_temperature      100(2)
_exptl_crystal_density_diffrn    1.133
_cod_original_sg_symbol_H-M      'P 21'
_cod_database_code               7100384
The step-wise assembly of an undecanuclear heterotrimetallic cyanide cluster
K. Dunbar; Curtis Berlinguette; Chemical Communications  (2005) –; doi:10.1039/b418698b

data_7100385
_publ_section_title
;
The step-wise assembly of an undecanuclear
heterotrimetallic cyanide cluster
;
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/b418698b
_journal_year                    2005
_chemical_formula_moiety         C108H190Cl13Co3Fe2N24Ni6O99
_chemical_formula_sum            'C108 H190 Cl13 Co3 Fe2 N24 Ni6 O99'
_chemical_formula_weight         4415.69
_chemical_name_common            (Ni6Fe2Co3)(2).13ClO4.17H2O
_space_group_IT_number           167
_symmetry_cell_setting           hexagonal
_symmetry_space_group_name_Hall  '-R 3 2"c'
_symmetry_space_group_name_H-M   'R -3 c :H'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                120.00
_cell_formula_units_Z            18
_cell_length_a                   56.06(3)
_cell_length_b                   56.06(3)
_cell_length_c                   35.87(5)
_cell_measurement_temperature    110(2)
_cell_volume                     97625(138)
_diffrn_ambient_temperature      110(2)
_exptl_crystal_density_diffrn    1.352
_cod_original_sg_symbol_H-M      'R -3 c'
_cod_database_code               7100385
Cyclopentadienyl titanium hydroxylaminato complexes as highly active catalysts for the polymerisation of propylene
Robert Waymouth; Andrew P. Dove; Xiangjin Xie.; Chemical Communications  (2005) –; doi:10.1039/b418778d

data_7100386
_publ_section_title
;
Cyclopentadienyl titanium hydroxylaminato complexes as
highly active catalysts for the polymerisation of propylene
;
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/b418778d
_journal_year                    2005
_chemical_formula_moiety         'C17 H33 N O Ti'
_chemical_formula_sum            'C17 H33 N O Ti'
_chemical_formula_weight         315.34
_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                 100.767(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   9.0599(17)
_cell_length_b                   16.210(3)
_cell_length_c                   12.450(2)
_cell_measurement_temperature    143
_cell_volume                     1796.2(6)
_diffrn_ambient_temperature      143
_exptl_crystal_density_diffrn    1.166
_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               7100386
Dynamic synthesis of a macrocycle containing a porphyrin and an electron donor
J. Sanders; Maxwell Gunter; Thibaut Jarrosson; Amy L. Kieran; Sofia Ioana Pascu; Chemical Communications  (2005) –; doi:10.1039/b418811j

data_7100387
_publ_section_title
;
Dynamic synthesis of a macrocycle containing a
porphyrin and an electron donor
;
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/b418811j
_journal_year                    2005
_chemical_formula_moiety
;
2(C80 H100 N4 O4 S4 Zn)
;
_chemical_formula_sum            'C160 H200 N8 O8 S8 Zn2'
_chemical_formula_weight         2750.69
_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                95.4860(11)
_cell_angle_beta                 99.0310(11)
_cell_angle_gamma                106.4290(13)
_cell_formula_units_Z            2
_cell_length_a                   17.5480(4)
_cell_length_b                   19.9870(5)
_cell_length_c                   25.2150(9)
_cell_measurement_temperature    180
_cell_volume                     8285.5(4)
_diffrn_ambient_temperature      180
_exptl_crystal_density_diffrn    1.102
_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               7100387
Dynamic synthesis of a macrocycle containing a porphyrin and an electron donor
J. Sanders; Maxwell Gunter; Thibaut Jarrosson; Amy L. Kieran; Sofia Ioana Pascu; Chemical Communications  (2005) –; doi:10.1039/b418811j

data_7100388
_publ_section_title
;
Dynamic synthesis of a macrocycle containing a
porphyrin and an electron donor
;
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/b418811j
_journal_year                    2005
_chemical_formula_moiety         'C160 H204 N8 O8 S8'
_chemical_formula_sum            'C160 H204 N8 O8 S8'
_chemical_formula_weight         2623.96
_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                90.5208(3)
_cell_angle_beta                 99.9292(3)
_cell_angle_gamma                102.8035(4)
_cell_formula_units_Z            2
_cell_length_a                   15.45070(10)
_cell_length_b                   18.8773(2)
_cell_length_c                   26.9207(3)
_cell_measurement_temperature    180
_cell_volume                     7532.83(12)
_diffrn_ambient_temperature      180
_exptl_crystal_density_diffrn    1.157
_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               7100388
1,2,4,5-Tetra([5]trovacenyl)benzene: an organometallic tetraradical displaying pronounced electro- and magnetocommunication
Ch. Elschenbroich; Olaf Burghaus; Klaus Harms; Olav Schiemann; Chemical Communications  (2005) –; doi:10.1039/b418831b

data_7100389
_publ_section_title
;
1,2,4,5-Tetra([5]trovacenyl)benzene: an organometallic
tetraradical displaying pronounced electro- and magnetocommunication
;
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/b418831b
_journal_year                    2005
_chemical_formula_sum            'C68 H62 V4'
_chemical_formula_weight         1082.94
_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
_cell_angle_beta                 99.100(10)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   23.920(2)
_cell_length_b                   20.333(2)
_cell_length_c                   10.9440(10)
_cell_measurement_temperature    193(2)
_cell_volume                     5255.8(8)
_diffrn_ambient_temperature      193(2)
_exptl_crystal_density_diffrn    1.369
_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               7100389