LMucko/crystallography-open-database huggingface dataset:
Bis(Cyclopentadienyl)Titanium Complexes of Naphthalene‒1,8-Dithiolates, Biphenyl 2,2'-Dithiolates, and Related Ligands
Aucott, Stephen M.; Kilian, Petr; Milton, Heather L.; Robertson, Stuart D.; Slawin, Alexandra M. Z.; Woollins, J. Derek; Inorganic Chemistry 44 (2005) 2710–2718; doi:10.1021/ic048483l

data_4300301
_publ_section_title
;
 Bis(Cyclopentadienyl)Titanium Complexes of Naphthalene--1,8-Dithiolates,
 Biphenyl 2,2'-Dithiolates, and Related Ligands
;
_journal_coden_ASTM              INOCAJ
_journal_issue                   8
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              2710
_journal_page_last               2718
_journal_paper_doi               10.1021/ic048483l
_journal_volume                  44
_journal_year                    2005
_chemical_formula_sum            'C21.75 H18 S2 Ti'
_chemical_formula_weight         391.38
_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                 94.288(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            16
_cell_length_a                   30.827(5)
_cell_length_b                   15.229(3)
_cell_length_c                   15.027(3)
_cell_measurement_temperature    125(2)
_cell_volume                     7035(2)
_diffrn_ambient_temperature      125(2)
_exptl_crystal_density_diffrn    1.478
_cod_duplicate_entry             4300846
_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               4300301
Bis(Cyclopentadienyl)Titanium Complexes of Naphthalene‒1,8-Dithiolates, Biphenyl 2,2'-Dithiolates, and Related Ligands
Aucott, Stephen M.; Kilian, Petr; Milton, Heather L.; Robertson, Stuart D.; Slawin, Alexandra M. Z.; Woollins, J. Derek; Inorganic Chemistry 44 (2005) 2710–2718; doi:10.1021/ic048483l

data_4300302
_publ_section_title
;
 Bis(Cyclopentadienyl)Titanium Complexes of Naphthalene--1,8-Dithiolates,
 Biphenyl 2,2'-Dithiolates, and Related Ligands
;
_journal_coden_ASTM              INOCAJ
_journal_issue                   8
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              2710
_journal_page_last               2718
_journal_paper_doi               10.1021/ic048483l
_journal_volume                  44
_journal_year                    2005
_chemical_formula_sum            'C25.5 H22 S2 Ti'
_chemical_formula_weight         440.45
_space_group_IT_number           12
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 91.461(5)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   21.939(7)
_cell_length_b                   12.009(4)
_cell_length_c                   7.764(3)
_cell_measurement_temperature    125(2)
_cell_volume                     2044.7(12)
_diffrn_ambient_temperature      125(2)
_exptl_crystal_density_diffrn    1.431
_cod_duplicate_entry             4300847
_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/m'
_cod_original_formula_sum        'C25.50 H22 S2 Ti'
_cod_database_code               4300302
Bis(Cyclopentadienyl)Titanium Complexes of Naphthalene‒1,8-Dithiolates, Biphenyl 2,2'-Dithiolates, and Related Ligands
Aucott, Stephen M.; Kilian, Petr; Milton, Heather L.; Robertson, Stuart D.; Slawin, Alexandra M. Z.; Woollins, J. Derek; Inorganic Chemistry 44 (2005) 2710–2718; doi:10.1021/ic048483l

data_4300303
_publ_section_title
;
 Bis(Cyclopentadienyl)Titanium Complexes of Naphthalene--1,8-Dithiolates,
 Biphenyl 2,2'-Dithiolates, and Related Ligands
;
_journal_coden_ASTM              INOCAJ
_journal_issue                   8
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              2710
_journal_page_last               2718
_journal_paper_doi               10.1021/ic048483l
_journal_volume                  44
_journal_year                    2005
_chemical_formula_moiety         'C22 H18 S2 Ti'
_chemical_formula_sum            'C22 H18 S2 Ti'
_chemical_formula_weight         394.38
_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                 92.167(17)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   7.850(7)
_cell_length_b                   16.344(14)
_cell_length_c                   14.429(13)
_cell_measurement_temperature    125(2)
_cell_volume                     1850(3)
_diffrn_ambient_temperature      125(2)
_exptl_crystal_density_diffrn    1.416
_cod_duplicate_entry             4300848
_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               4300303
Bis(Cyclopentadienyl)Titanium Complexes of Naphthalene‒1,8-Dithiolates, Biphenyl 2,2'-Dithiolates, and Related Ligands
Aucott, Stephen M.; Kilian, Petr; Milton, Heather L.; Robertson, Stuart D.; Slawin, Alexandra M. Z.; Woollins, J. Derek; Inorganic Chemistry 44 (2005) 2710–2718; doi:10.1021/ic048483l

data_4300304
_publ_section_title
;
 Bis(Cyclopentadienyl)Titanium Complexes of Naphthalene--1,8-Dithiolates,
 Biphenyl 2,2'-Dithiolates, and Related Ligands
;
_journal_coden_ASTM              INOCAJ
_journal_issue                   8
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              2710
_journal_page_last               2718
_journal_paper_doi               10.1021/ic048483l
_journal_volume                  44
_journal_year                    2005
_chemical_formula_sum            'C30 H22 S2 Ti'
_chemical_formula_weight         494.50
_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                   10.8920(13)
_cell_length_b                   10.8871(12)
_cell_length_c                   38.317(5)
_cell_measurement_temperature    93(2)
_cell_volume                     4543.7(9)
_diffrn_ambient_temperature      93(2)
_exptl_crystal_density_diffrn    1.446
_cod_duplicate_entry             4300849
_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               4300304
Bis(Cyclopentadienyl)Titanium Complexes of Naphthalene‒1,8-Dithiolates, Biphenyl 2,2'-Dithiolates, and Related Ligands
Aucott, Stephen M.; Kilian, Petr; Milton, Heather L.; Robertson, Stuart D.; Slawin, Alexandra M. Z.; Woollins, J. Derek; Inorganic Chemistry 44 (2005) 2710–2718; doi:10.1021/ic048483l

data_4300305
_publ_section_title
;
 Bis(Cyclopentadienyl)Titanium Complexes of Naphthalene--1,8-Dithiolates,
 Biphenyl 2,2'-Dithiolates, and Related Ligands
;
_journal_coden_ASTM              INOCAJ
_journal_issue                   8
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              2710
_journal_page_last               2718
_journal_paper_doi               10.1021/ic048483l
_journal_volume                  44
_journal_year                    2005
_chemical_formula_sum            'C23.5 H20 O2 S2 Ti'
_chemical_formula_weight         446.42
_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                 105.689(7)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   22.998(5)
_cell_length_b                   12.703(3)
_cell_length_c                   14.269(3)
_cell_measurement_temperature    80(2)
_cell_volume                     4013.3(14)
_diffrn_ambient_temperature      80(2)
_exptl_crystal_density_diffrn    1.478
_cod_duplicate_entry             4300850
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_original_formula_sum        'C23.50 H20 O2 S2 Ti'
_cod_database_code               4300305
Bis(Cyclopentadienyl)Titanium Complexes of Naphthalene‒1,8-Dithiolates, Biphenyl 2,2'-Dithiolates, and Related Ligands
Aucott, Stephen M.; Kilian, Petr; Milton, Heather L.; Robertson, Stuart D.; Slawin, Alexandra M. Z.; Woollins, J. Derek; Inorganic Chemistry 44 (2005) 2710–2718; doi:10.1021/ic048483l

data_4300306
_publ_section_title
;
 Bis(Cyclopentadienyl)Titanium Complexes of Naphthalene--1,8-Dithiolates,
 Biphenyl 2,2'-Dithiolates, and Related Ligands
;
_journal_coden_ASTM              INOCAJ
_journal_issue                   8
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              2710
_journal_page_last               2718
_journal_paper_doi               10.1021/ic048483l
_journal_volume                  44
_journal_year                    2005
_chemical_formula_sum            'C22.5 H19 Cl0.5 O2 S2 Ti'
_chemical_formula_weight         451.12
_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                 98.693(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   7.7413(11)
_cell_length_b                   11.5820(17)
_cell_length_c                   23.933(4)
_cell_measurement_temperature    125(2)
_cell_volume                     2121.1(5)
_diffrn_ambient_temperature      125(2)
_exptl_crystal_density_diffrn    1.413
_cod_duplicate_entry             4300851
_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_original_formula_sum        'C22.50 H19 Cl0.50 O2 S2 Ti'
_cod_database_code               4300306
Bis(Cyclopentadienyl)Titanium Complexes of Naphthalene‒1,8-Dithiolates, Biphenyl 2,2'-Dithiolates, and Related Ligands
Aucott, Stephen M.; Kilian, Petr; Milton, Heather L.; Robertson, Stuart D.; Slawin, Alexandra M. Z.; Woollins, J. Derek; Inorganic Chemistry 44 (2005) 2710–2718; doi:10.1021/ic048483l

data_4300307
_publ_section_title
;
 Bis(Cyclopentadienyl)Titanium Complexes of Naphthalene--1,8-Dithiolates,
 Biphenyl 2,2'-Dithiolates, and Related Ligands
;
_journal_coden_ASTM              INOCAJ
_journal_issue                   8
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              2710
_journal_page_last               2718
_journal_paper_doi               10.1021/ic048483l
_journal_volume                  44
_journal_year                    2005
_chemical_formula_sum            'C46 H52 Cl12 O12 Ti8'
_chemical_formula_weight         1605.48
_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                 103.036(4)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   20.265(4)
_cell_length_b                   16.343(3)
_cell_length_c                   38.350(8)
_cell_measurement_temperature    293(2)
_cell_volume                     12373(4)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.724
_cod_duplicate_entry             4300852
_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               4300307
Carbohydrate-Appended 2,2'-Dipicolylamine Metal Complexes as Potential Imaging Agents
Storr, Tim; Sugai, Yuko; Barta, Cheri A.; Mikata, Yuji; Adam, Michael J.; Yano, Shigenobu; Orvig, Chris; Inorganic Chemistry 44 (2005) 2698–2705; doi:10.1021/ic048528i

data_4300308
_publ_section_title
;
 Carbohydrate-Appended 2,2'-Dipicolylamine Metal Complexes as Potential
 Imaging Agents
;
_journal_coden_ASTM              INOCAJ
_journal_issue                   8
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              2698
_journal_page_last               2705
_journal_paper_doi               10.1021/ic048528i
_journal_volume                  44
_journal_year                    2005
_chemical_formula_moiety         'C26 H36 Cl N3 O10.50 Re'
_chemical_formula_sum            'C26 H36 Cl N3 O10.5 Re'
_chemical_formula_weight         780.23
_space_group_IT_number           18
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'P 2 2ab'
_symmetry_space_group_name_H-M   'P 21 21 2'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   36.523(6)
_cell_length_b                   8.2197(11)
_cell_length_c                   10.1723(16)
_cell_measurement_temperature    173(2)
_cell_volume                     3053.8(8)
_diffrn_ambient_temperature      173(2)
_exptl_crystal_density_diffrn    1.697
_cod_duplicate_entry             4300863
_cod_original_formula_sum        'C26 H36 Cl N3 O10.50 Re'
_cod_database_code               4300308
Binding of Propylene Oxide to Porphyrin- and Salen‒M(III) Cations, Where M = Al, Ga, Cr, and Co
Chen, Peter; Chisholm, Malcolm H.; Gallucci, Judith C.; Zhang, Xiangyang; Zhou, Zhiping; Inorganic Chemistry 44 (2005) 2588–2595; doi:10.1021/ic048597x

data_4300309
_publ_section_title
;
 Binding of Propylene Oxide to Porphyrin- and Salen--M(III) Cations,
 Where M = Al, Ga, Cr, and Co
;
_journal_coden_ASTM              INOCAJ
_journal_issue                   8
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              2588
_journal_page_last               2595
_journal_paper_doi               10.1021/ic048597x
_journal_volume                  44
_journal_year                    2005
_chemical_absolute_configuration ad
_chemical_formula_sum            'C40.5 H61 Al Cl N2 O3.5'
_chemical_formula_weight         694.34
_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                75.634(3)
_cell_angle_beta                 63.234(3)
_cell_angle_gamma                89.519(3)
_cell_formula_units_Z            2
_cell_length_a                   12.7762(10)
_cell_length_b                   13.0956(10)
_cell_length_c                   13.8554(10)
_cell_measurement_temperature    200(2)
_cell_volume                     1990.7(3)
_diffrn_ambient_temperature      200(2)
_exptl_crystal_density_diffrn    1.158
_cod_duplicate_entry             4300879
_cod_original_formula_sum        'C40.50 H61 Al Cl N2 O3.50'
_cod_database_code               4300309
Binding of Propylene Oxide to Porphyrin- and Salen–M(III) Cations, Where M = Al, Ga, Cr, and Co
Chen, Peter; Chisholm, Malcolm H.; Gallucci, Judith C.; Zhang, Xiangyang; Zhou, Zhiping; Inorganic Chemistry 44 (2005) 2588–2595; doi:10.1021/ic048597x

data_4300310
_publ_section_title
;
 Binding of Propylene Oxide to Porphyrin- and Salen--M(III) Cations,
 Where M = Al, Ga, Cr, and Co
;
_journal_coden_ASTM              INOCAJ
_journal_issue                   8
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              2588
_journal_page_last               2595
_journal_paper_doi               10.1021/ic048597x
_journal_volume                  44
_journal_year                    2005
_chemical_absolute_configuration syn
_chemical_formula_moiety         'C42 H60 Al1 N3 O4'
_chemical_formula_sum            'C45.5 H62.5 Al N3.5 O4'
_chemical_formula_weight         749.47
_space_group_IT_number           1
_space_group_name_Hall           'P 1'
_space_group_name_H-M_alt        'P 1'
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      1
_symmetry_space_group_name_Hall  'P 1'
_symmetry_space_group_name_H-M   'P 1'
_cell_angle_alpha                80.610(3)
_cell_angle_beta                 85.652(3)
_cell_angle_gamma                67.263(4)
_cell_formula_units_Z            2
_cell_length_a                   12.5540(10)
_cell_length_b                   12.8870(10)
_cell_length_c                   14.6140(10)
_cell_measurement_temperature    200(2)
_cell_volume                     2151.1(3)
_diffrn_ambient_temperature      200(2)
_exptl_crystal_density_diffrn    1.157
_cod_duplicate_entry             4300880
_cod_original_formula_sum        'C45.50 H62.50 Al N3.50 O4'
_cod_database_code               4300310
Crystal Growth and Magnetic Properties of Lanthanide-Containing Osmium Double Perovskites, Ln2NaOsO6 (Ln = La, Pr, Nd)
Gemmill, William R.; Smith, Mark D.; Prozorov, Ruslan; zur Loye, Hans-Conrad; Inorganic Chemistry 44 (2005) 2639–2646; doi:10.1021/ic048637x

data_4300311
_publ_section_title
;
 Crystal Growth and Magnetic Properties of Lanthanide-Containing Osmium
 Double Perovskites, Ln2NaOsO6 (Ln = La, Pr, Nd)
;
_journal_coden_ASTM              INOCAJ
_journal_issue                   8
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              2639
_journal_page_last               2646
_journal_paper_doi               10.1021/ic048637x
_journal_volume                  44
_journal_year                    2005
_chemical_formula_moiety         'La2 Na O6 Os'
_chemical_formula_sum            'La2 Na O6 Os'
_chemical_formula_weight         587.01
_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                 90.587(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   5.6054(3)
_cell_length_b                   5.9445(3)
_cell_length_c                   8.0285(4)
_cell_measurement_temperature    294(1)
_cell_volume                     267.51(2)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    7.288
_cod_duplicate_entry             4300900
_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               4300311
Crystal Growth and Magnetic Properties of Lanthanide-Containing Osmium Double Perovskites, Ln2NaOsO6 (Ln = La, Pr, Nd)
Gemmill, William R.; Smith, Mark D.; Prozorov, Ruslan; zur Loye, Hans-Conrad; Inorganic Chemistry 44 (2005) 2639–2646; doi:10.1021/ic048637x

data_4300312
_publ_section_title
;
 Crystal Growth and Magnetic Properties of Lanthanide-Containing Osmium
 Double Perovskites, Ln2NaOsO6 (Ln = La, Pr, Nd)
;
_journal_coden_ASTM              INOCAJ
_journal_issue                   8
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              2639
_journal_page_last               2646
_journal_paper_doi               10.1021/ic048637x
_journal_volume                  44
_journal_year                    2005
_chemical_formula_moiety         'Na O6 Os Pr2'
_chemical_formula_sum            'Na O6 Os Pr2'
_chemical_formula_weight         591.01
_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                 90.8540(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   5.5427(2)
_cell_length_b                   5.9289(2)
_cell_length_c                   7.9509(3)
_cell_measurement_temperature    294(1)
_cell_volume                     261.254(16)
_diffrn_ambient_temperature      294(2)
_exptl_crystal_density_diffrn    7.513
_cod_duplicate_entry             4300901
_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               4300312