LMucko/crystallography-open-database huggingface dataset:
Isolation and characterization of cationic gold(I) N-heterocyclic carbene (NHC) complexes
Steven Nolan; P.de Fremont; M. Mar Diaz-Requejo; Manuel R. Fructos; Pedro J. Perez; E.D. Stevens; Chemical Communications  (2006) –; doi:10.1039/b601547f

data_7101049
_publ_section_title
;
Isolation and characterization of cationic gold(I)
N-heterocyclic carbene (NHC) complexes
;
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/b601547f
_journal_year                    2006
_chemical_formula_sum            'C31 H42 Au F6 N4 P'
_chemical_formula_weight         812.62
_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                 96.8410(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   8.9662(6)
_cell_length_b                   18.3466(13)
_cell_length_c                   21.6925(15)
_cell_measurement_temperature    298(2)
_cell_volume                     3543.0(4)
_diffrn_ambient_temperature      298(2)
_exptl_crystal_density_diffrn    1.523
_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               7101049
Dimers of Delocalized Ru3O Clusters Linked by Ortho-metallated 2,2'-Bipyrimidine in ?mu4-eta1(C),eta1(C),eta2(N,N),eta2(N,N) Mode
Zhong-Ning Chen; Jing-Lin Chen; Hen-Yun Ye; Li-Yi Zhang; Chemical Communications  (2006) –; doi:10.1039/b601611a

data_7101050
_publ_section_title
;
Dimers of Delocalized Ru3O Clusters Linked by
Ortho-metallated 2,2'-Bipyrimidine in
?mu4-eta1(C),eta1(C),eta2(N,N),eta2(N,N) Mode
;
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/b601611a
_journal_year                    2006
_chemical_formula_sum            'C52 H66 F6 N8 O24 P Ru6'
_chemical_formula_weight         1938.52
_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                 98.41(1)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   29.72370(10)
_cell_length_b                   15.6233(2)
_cell_length_c                   16.69290(10)
_cell_measurement_temperature    293(2)
_cell_volume                     7668.49(11)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.679
_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               7101050
Two novel luminescent lanthanide sulfate-carboxylates with unusual 2-D bamboo-raft-like structure based on the linkages of left- and right-handed helical tubes involving in-situ decarboxylation
Yanqiong Sun; Jie Zhang; Guo-Yu Yang; Chemical Communications  (2006) –; doi:10.1039/b602034h

data_7101051
_publ_section_title
;
Two novel luminescent lanthanide sulfate-carboxylates
with unusual 2-D bamboo-raft-like structure based on the linkages of
left- and right-handed helical tubes involving in-situ decarboxylation
;
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/b602034h
_journal_year                    2006
_chemical_formula_moiety         'C4 H5 Dy N2 O7 S'
_chemical_formula_sum            'C4 H5 Dy N2 O7 S'
_chemical_formula_weight         387.66
_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                 107.8080(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   11.157(3)
_cell_length_b                   6.4786(15)
_cell_length_c                   12.087(3)
_cell_measurement_temperature    293(2)
_cell_volume                     831.8(4)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    3.096
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               7101051
Two novel luminescent lanthanide sulfate-carboxylates with unusual 2-D bamboo-raft-like structure based on the linkages of left- and right-handed helical tubes involving in-situ decarboxylation
Yanqiong Sun; Jie Zhang; Guo-Yu Yang; Chemical Communications  (2006) –; doi:10.1039/b602034h

data_7101052
_publ_section_title
;
Two novel luminescent lanthanide sulfate-carboxylates
with unusual 2-D bamboo-raft-like structure based on the linkages of
left- and right-handed helical tubes involving in-situ decarboxylation
;
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/b602034h
_journal_year                    2006
_chemical_formula_moiety         'C4 H5 Eu N2 O7 S'
_chemical_formula_sum            'C4 H5 Eu N2 O7 S'
_chemical_formula_weight         377.12
_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                 107.922(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   11.209(2)
_cell_length_b                   6.5406(11)
_cell_length_c                   12.203(2)
_cell_measurement_temperature    293(2)
_cell_volume                     851.2(3)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    2.943
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               7101052
The cationic cluster Grignard [{MgCl(thf)2}3(mu3-C3H5)2]+
Richard A. Layfield; Thomas H. Bullock; Felipe Garcia; Simon M. Humphrey; Peter Schuler; Chemical Communications  (2006) –; doi:10.1039/b602059c

data_7101053
_publ_section_title
;
The cationic cluster Grignard [{MgCl(thf)2}3(mu3-C3H5)2]+
;
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/b602059c
_journal_year                    2006
_chemical_formula_moiety         '2(C30 H58 Cl3 Mg3 O6), C12 H20 Mg1'
_chemical_formula_sum            'C72 H136 Cl6 Mg7 O12'
_chemical_formula_weight         1576.68
_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                   22.2467(4)
_cell_length_b                   24.4885(5)
_cell_length_c                   19.6433(4)
_cell_measurement_temperature    230(2)
_cell_volume                     10701.4(4)
_diffrn_ambient_temperature      230(2)
_exptl_crystal_density_diffrn    0.979
_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               7101053
The cationic cluster Grignard [{MgCl(thf)2}3(mu3-C3H5)2]+
Richard A. Layfield; Thomas H. Bullock; Felipe Garcia; Simon M. Humphrey; Peter Schuler; Chemical Communications  (2006) –; doi:10.1039/b602059c

data_7101054
_publ_section_title
;
The cationic cluster Grignard [{MgCl(thf)2}3(mu3-C3H5)2]+
;
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/b602059c
_journal_year                    2006
_chemical_formula_moiety         'C20 H20 Cl2 Mg N4'
_chemical_formula_sum            'C20 H20 Cl2 Mg N4'
_chemical_formula_weight         411.61
_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                74.8540(10)
_cell_angle_beta                 78.9020(10)
_cell_angle_gamma                77.6580(10)
_cell_formula_units_Z            2
_cell_length_a                   9.1636(2)
_cell_length_b                   9.2462(2)
_cell_length_c                   13.4528(3)
_cell_measurement_temperature    180(2)
_cell_volume                     1063.47(4)
_diffrn_ambient_temperature      180(2)
_exptl_crystal_density_diffrn    1.285
_cod_database_code               7101054
Hemi-aminals as substrates for sulfur ylides: Direct asymmetric syntheses of functionalised pyrrolidines and piperidines
Varinder Aggarwal; Christoforos G. Kokotos; Chemical Communications  (2006) –; doi:10.1039/b602226j

data_7101055
_publ_section_title
;
Hemi-aminals as substrates for sulfur ylides: Direct
asymmetric syntheses of functionalised pyrrolidines and piperidines
;
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/b602226j
_journal_year                    2006
_chemical_formula_moiety         'C18 H21 N O3 S'
_chemical_formula_sum            'C18 H21 N O3 S'
_chemical_formula_weight         331.42
_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                   8.0828(3)
_cell_length_b                   18.1324(5)
_cell_length_c                   22.0830(7)
_cell_measurement_temperature    100(2)
_cell_volume                     3236.50(18)
_diffrn_ambient_temperature      100(2)
_exptl_crystal_density_diffrn    1.360
_cod_database_code               7101055
Hemi-aminals as substrates for sulfur ylides: Direct asymmetric syntheses of functionalised pyrrolidines and piperidines
Varinder Aggarwal; Christoforos G. Kokotos; Chemical Communications  (2006) –; doi:10.1039/b602226j

data_7101056
_publ_section_title
;
Hemi-aminals as substrates for sulfur ylides: Direct
asymmetric syntheses of functionalised pyrrolidines and piperidines
;
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/b602226j
_journal_year                    2006
_chemical_formula_moiety         'C17 H19 N O3 S'
_chemical_formula_sum            'C17 H19 N O3 S'
_chemical_formula_weight         317.39
_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                 94.63(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   10.411(2)
_cell_length_b                   7.7097(15)
_cell_length_c                   19.546(4)
_cell_measurement_temperature    100(2)
_cell_volume                     1563.8(5)
_diffrn_ambient_temperature      100(2)
_exptl_crystal_density_diffrn    1.348
_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               7101056
Hemi-aminals as substrates for sulfur ylides: Direct asymmetric syntheses of functionalised pyrrolidines and piperidines
Varinder Aggarwal; Christoforos G. Kokotos; Chemical Communications  (2006) –; doi:10.1039/b602226j

data_7101057
_publ_section_title
;
Hemi-aminals as substrates for sulfur ylides: Direct
asymmetric syntheses of functionalised pyrrolidines and piperidines
;
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/b602226j
_journal_year                    2006
_chemical_formula_moiety         'C18 H21 N O3 S'
_chemical_formula_sum            'C18 H21 N O3 S'
_chemical_formula_weight         331.42
_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                 112.92(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   9.4610(19)
_cell_length_b                   18.630(4)
_cell_length_c                   10.033(2)
_cell_measurement_temperature    100(2)
_cell_volume                     1628.8(7)
_diffrn_ambient_temperature      100(2)
_exptl_crystal_density_diffrn    1.352
_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               7101057
; Chemical Communications  (2006) –; doi:10.1039/b602359b

data_7101058
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/b602359b
_journal_year                    2006
_chemical_formula_sum            'C42 H56 Fe5 Li2 N4'
_chemical_formula_weight         910.04
_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                 98.862(6)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   21.5484(17)
_cell_length_b                   10.5554(10)
_cell_length_c                   17.5984(14)
_cell_measurement_temperature    100(2)
_cell_volume                     3955.0(6)
_diffrn_ambient_temperature      100(2)
_exptl_crystal_density_diffrn    1.528
_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               7101058
; Chemical Communications  (2006) –; doi:10.1039/b602359b

data_7101059
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/b602359b
_journal_year                    2006
_chemical_formula_sum            'C42 H56 Fe3 Li6 N4'
_chemical_formula_weight         826.10
_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                 99.533(17)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   21.420(5)
_cell_length_b                   10.730(3)
_cell_length_c                   17.830(4)
_cell_measurement_temperature    173(2)
_cell_volume                     4041.4(17)
_diffrn_ambient_temperature      173(2)
_exptl_crystal_density_diffrn    1.358
_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               7101059
Unusual variations in the incidence of Z'>1 in oxo-anion structures
Jonathan Steed; Kirsty Anderson; Andres E. Goeta; Kirsty S. B. Hancock; Chemical Communications  (2006) –; doi:10.1039/b602492k

data_7101060
_publ_section_title
;
Unusual variations in the incidence of Z'>1 in
oxo-anion structures
;
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/b602492k
_journal_year                    2006
_chemical_formula_moiety         '2(C6 H10 N2), 2(H2 O4 P), H O4 P'
_chemical_formula_sum            'C12 H25 N4 O12 P3'
_chemical_formula_weight         510.27
_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                113.296(3)
_cell_angle_beta                 99.154(3)
_cell_angle_gamma                95.774(3)
_cell_formula_units_Z            4
_cell_length_a                   10.9056(6)
_cell_length_b                   13.2510(4)
_cell_length_c                   15.7992(8)
_cell_measurement_temperature    100(2)
_cell_volume                     2036.36(16)
_diffrn_ambient_temperature      100(2)
_exptl_crystal_density_diffrn    1.664
_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               7101060
Unusual variations in the incidence of Z'>1 in oxo-anion structures
Jonathan Steed; Kirsty Anderson; Andres E. Goeta; Kirsty S. B. Hancock; Chemical Communications  (2006) –; doi:10.1039/b602492k

data_7101061
_publ_section_title
;
Unusual variations in the incidence of Z'>1 in
oxo-anion structures
;
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/b602492k
_journal_year                    2006
_chemical_formula_moiety         '(C6 H10 N2)4, (SO4)3, (HSO4)2, (H2O)4'
_chemical_formula_sum            'C24 H25 N8 O24 S5'
_chemical_formula_weight         969.82
_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                 91.58(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   7.5897(15)
_cell_length_b                   27.591(6)
_cell_length_c                   19.190(4)
_cell_measurement_temperature    100(2)
_cell_volume                     4016.9(14)
_diffrn_ambient_temperature      100(2)
_exptl_crystal_density_diffrn    1.604
_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               7101061
Unusual variations in the incidence of Z'>1 in oxo-anion structures
Jonathan Steed; Kirsty Anderson; Andres E. Goeta; Kirsty S. B. Hancock; Chemical Communications  (2006) –; doi:10.1039/b602492k

data_7101062
_publ_section_title
;
Unusual variations in the incidence of Z'>1 in
oxo-anion structures
;
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/b602492k
_journal_year                    2006
_chemical_formula_moiety         'C6 H10 N2, 2(B F4)'
_chemical_formula_sum            'C6 H10 B2 F8 N2'
_chemical_formula_weight         283.78
_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                 91.27(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   11.180(2)
_cell_length_b                   7.1600(14)
_cell_length_c                   13.983(3)
_cell_measurement_temperature    100(2)
_cell_volume                     1119.1(4)
_diffrn_ambient_temperature      100(2)
_exptl_crystal_density_diffrn    1.684
_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               7101062
Unusual variations in the incidence of Z'>1 in oxo-anion structures
Jonathan Steed; Kirsty Anderson; Andres E. Goeta; Kirsty S. B. Hancock; Chemical Communications  (2006) –; doi:10.1039/b602492k

data_7101063
_publ_section_title
;
Unusual variations in the incidence of Z'>1 in
oxo-anion structures
;
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/b602492k
_journal_year                    2006
_chemical_formula_moiety         ' C6 H10 N2, 2(Br)'
_chemical_formula_sum            'C6 H10 Br2 N2'
_chemical_formula_weight         269.98
_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                 110.351(6)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   13.5054(10)
_cell_length_b                   7.4498(10)
_cell_length_c                   9.418(8)
_cell_measurement_temperature    100(2)
_cell_volume                     888.5(8)
_diffrn_ambient_temperature      100(2)
_exptl_crystal_density_diffrn    2.018
_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               7101063