LMucko/crystallography-open-database huggingface dataset:
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_7101064
_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, Cl2'
_chemical_formula_sum            'C6 H10 Cl2 N2'
_chemical_formula_weight         181.06
_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                 94.794(5)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   7.3184(6)
_cell_length_b                   14.5495(9)
_cell_length_c                   7.8594(6)
_cell_measurement_temperature    100(2)
_cell_volume                     833.93(11)
_diffrn_ambient_temperature      100(2)
_exptl_crystal_density_diffrn    1.442
_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               7101064
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_7101065
_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(C2 F3 O2)'
_chemical_formula_sum            'C10 H10 F6 N2 O4'
_chemical_formula_weight         336.20
_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                 102.093(6)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   25.649(3)
_cell_length_b                   8.6558(9)
_cell_length_c                   11.7964(13)
_cell_measurement_temperature    100(2)
_cell_volume                     2560.9(5)
_diffrn_ambient_temperature      100(2)
_exptl_crystal_density_diffrn    1.744
_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               7101065
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_7101066
_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, (H2 P O4)2'
_chemical_formula_sum            'C6 H14 N2 O8 P2'
_chemical_formula_weight         304.13
_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                66.947(3)
_cell_angle_beta                 73.474(4)
_cell_angle_gamma                73.262(4)
_cell_formula_units_Z            2
_cell_length_a                   6.6630(2)
_cell_length_b                   9.8070(6)
_cell_length_c                   10.1060(6)
_cell_measurement_temperature    100(2)
_cell_volume                     570.74(5)
_diffrn_ambient_temperature      100(2)
_exptl_crystal_density_diffrn    1.770
_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               7101066
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_7101067
_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(N O3)'
_chemical_formula_sum            'C6 H10 N4 O6'
_chemical_formula_weight         234.18
_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                 105.817(5)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   12.6849(14)
_cell_length_b                   7.9519(6)
_cell_length_c                   10.3950(10)
_cell_measurement_temperature    100(2)
_cell_volume                     1008.83(17)
_diffrn_ambient_temperature      100(2)
_exptl_crystal_density_diffrn    1.542
_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               7101067
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_7101068
_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, SiF6'
_chemical_formula_sum            'C6 H10 F6 N2 Si'
_chemical_formula_weight         252.25
_space_group_IT_number           13
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yac'
_symmetry_space_group_name_H-M   'P 1 2/n 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.75(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   5.5242(2)
_cell_length_b                   11.1775(8)
_cell_length_c                   7.6086(5)
_cell_measurement_temperature    100(2)
_cell_volume                     469.77(5)
_diffrn_ambient_temperature      100(2)
_exptl_crystal_density_diffrn    1.783
_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 2/n'
_cod_database_code               7101068
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_7101069
_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(BF4)'
_chemical_formula_sum            'C6 H10 B2 F8 N2'
_chemical_formula_weight         283.78
_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                73.712(11)
_cell_angle_beta                 74.877(9)
_cell_angle_gamma                76.677(9)
_cell_formula_units_Z            2
_cell_length_a                   7.2396(13)
_cell_length_b                   8.8215(16)
_cell_length_c                   9.4429(16)
_cell_measurement_temperature    100(2)
_cell_volume                     550.70(17)
_diffrn_ambient_temperature      100(2)
_exptl_crystal_density_diffrn    1.711
_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               7101069
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_7101070
_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                 92.82(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   8.3858(17)
_cell_length_b                   8.1422(16)
_cell_length_c                   13.592(3)
_cell_measurement_temperature    100(2)
_cell_volume                     926.9(3)
_diffrn_ambient_temperature      100(2)
_exptl_crystal_density_diffrn    1.935
_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               7101070
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_7101071
_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(H O4 S)'
_chemical_formula_sum            'C6 H12 N2 O8 S2'
_chemical_formula_weight         304.30
_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                65.177(8)
_cell_angle_beta                 87.006(8)
_cell_angle_gamma                77.515(8)
_cell_formula_units_Z            2
_cell_length_a                   7.1298(9)
_cell_length_b                   8.8359(8)
_cell_length_c                   10.3489(14)
_cell_measurement_temperature    100(2)
_cell_volume                     577.19(12)
_diffrn_ambient_temperature      100(2)
_exptl_crystal_density_diffrn    1.751
_cod_database_code               7101071
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_7101072
_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_sum            'C6 H12 N4 O7'
_chemical_formula_weight         252.20
_chemical_melting_point          'C6 H10 N2, 2(N O3), H2 O'
_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                 108.610(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   10.677(2)
_cell_length_b                   6.8471(18)
_cell_length_c                   15.621(3)
_cell_measurement_temperature    100(2)
_cell_volume                     1082.2(4)
_diffrn_ambient_temperature      100(2)
_exptl_crystal_density_diffrn    1.548
_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               7101072
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:

data_7101073
_publ_section_title
;
Unusual variations in the incidence of Z'>1 in
oxo-anion structures
;
_journal_name_full               'Chemical Communications'
_journal_year                    2006
_chemical_formula_moiety         'C6 H10 N2, F6 P, H2 O'
_chemical_formula_sum            'C6 H12 F6 N2 O P'
_chemical_formula_weight         273.15
_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                 113.210(9)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   8.9269(11)
_cell_length_b                   6.0679(10)
_cell_length_c                   10.4425(15)
_cell_measurement_temperature    100(2)
_cell_volume                     519.86(13)
_diffrn_ambient_temperature      100(2)
_exptl_crystal_density_diffrn    1.745
_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               7101073
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_7101074
_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, F6 Si, H2 O'
_chemical_formula_sum            'C6 H12 F6 N2 O Si'
_chemical_formula_weight         270.27
_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                 113.15(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   8.9265(18)
_cell_length_b                   6.0639(12)
_cell_length_c                   10.440(2)
_cell_measurement_temperature    100(2)
_cell_volume                     519.59(18)
_diffrn_ambient_temperature      100(2)
_exptl_crystal_density_diffrn    1.727
_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               7101074
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_7101075
_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 H9 N2, Cl'
_chemical_formula_sum            'C6 H9 Cl N2'
_chemical_formula_weight         144.60
_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                   5.7025(11)
_cell_length_b                   8.5328(17)
_cell_length_c                   14.781(3)
_cell_measurement_temperature    100(2)
_cell_volume                     719.2(2)
_diffrn_ambient_temperature      100(2)
_exptl_crystal_density_diffrn    1.335
_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               7101075
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_7101076
_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           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                103.616(4)
_cell_angle_beta                 104.616(5)
_cell_angle_gamma                101.392(5)
_cell_formula_units_Z            1
_cell_length_a                   4.4488(5)
_cell_length_b                   6.089(5)
_cell_length_c                   8.701(6)
_cell_measurement_temperature    100(2)
_cell_volume                     213.2(2)
_diffrn_ambient_temperature      100(2)
_exptl_crystal_density_diffrn    2.102
_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               7101076
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_7101077
_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(Cl)'
_chemical_formula_sum            'C6 H10 Cl2 N2'
_chemical_formula_weight         181.06
_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                71.035(4)
_cell_angle_beta                 76.868(5)
_cell_angle_gamma                79.631(5)
_cell_formula_units_Z            1
_cell_length_a                   4.2850(2)
_cell_length_b                   5.8053(15)
_cell_length_c                   8.6259(6)
_cell_measurement_temperature    100(2)
_cell_volume                     196.30(5)
_diffrn_ambient_temperature      100(2)
_exptl_crystal_density_diffrn    1.532
_cod_database_code               7101077
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_7101078
_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(C2 F3 O2)'
_chemical_formula_sum            'C10 H10 F6 N2 O4'
_chemical_formula_weight         336.20
_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                 101.075(5)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   5.9661(5)
_cell_length_b                   16.0900(14)
_cell_length_c                   7.2186(5)
_cell_measurement_temperature    100(2)
_cell_volume                     680.04(9)
_diffrn_ambient_temperature      100(2)
_exptl_crystal_density_diffrn    1.642
_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               7101078