LMucko/crystallography-open-database huggingface dataset:
Reactions of a Platinum(III) Dimeric Complex with Alkynes in Water: Novel Approach to α-Aminoketone, α-Iminoketone, and α,β-Diimine via Ketonyl-Pt(III) Dinuclear Complexes
Masahiko Ochiai; Yong-Shou Lin; Jun Yamada; Hanae Misawa; Saiko Arai; Kazuko Matsumoto; Journal of the American Chemical Society 126 (2004) 2536–2545; doi:10.1021/ja0302634

data_4100784
_publ_section_title
;
Reactions of a Platinum(III) Dimeric Complex with Alkynes in Water: Novel
Approach to \a-Aminoketone, \a-Iminoketone, and \a,\b-Diimine via
Ketonyl-Pt(III) Dinuclear Complexes
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              2536
_journal_page_last               2545
_journal_paper_doi               10.1021/ja0302634
_journal_volume                  126
_journal_year                    2004
_chemical_formula_sum            'C16 H41 N10 O17 Pt2'
_chemical_formula_weight         1035.77
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                84.358(3)
_cell_angle_beta                 78.820(3)
_cell_angle_gamma                88.152(3)
_cell_formula_units_Z            2
_cell_length_a                   9.5166(15)
_cell_length_b                   10.1385(17)
_cell_length_c                   16.124(3)
_cell_measurement_temperature    293(2)
_cell_volume                     1518.7(4)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    2.265
_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               4100784
Reactions of a Platinum(III) Dimeric Complex with Alkynes in Water: Novel Approach to α-Aminoketone, α-Iminoketone, and α,β-Diimine via Ketonyl-Pt(III) Dinuclear Complexes
Masahiko Ochiai; Yong-Shou Lin; Jun Yamada; Hanae Misawa; Saiko Arai; Kazuko Matsumoto; Journal of the American Chemical Society 126 (2004) 2536–2545; doi:10.1021/ja0302634

data_4100785
_publ_section_title
;
Reactions of a Platinum(III) Dimeric Complex with Alkynes in Water: Novel
Approach to \a-Aminoketone, \a-Iminoketone, and \a,\b-Diimine via
Ketonyl-Pt(III) Dinuclear Complexes
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              2536
_journal_page_last               2545
_journal_paper_doi               10.1021/ja0302634
_journal_volume                  126
_journal_year                    2004
_chemical_formula_sum            'C14 H39 N9 O13 Pt2'
_chemical_formula_weight         931.72
_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                 96.4490(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   9.4625(4)
_cell_length_b                   10.0973(4)
_cell_length_c                   30.1278(12)
_cell_measurement_temperature    293(2)
_cell_volume                     2860.4(2)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    2.164
_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               4100785
Reactions of a Platinum(III) Dimeric Complex with Alkynes in Water: Novel Approach to α-Aminoketone, α-Iminoketone, and α,β-Diimine via Ketonyl-Pt(III) Dinuclear Complexes
Masahiko Ochiai; Yong-Shou Lin; Jun Yamada; Hanae Misawa; Saiko Arai; Kazuko Matsumoto; Journal of the American Chemical Society 126 (2004) 2536–2545; doi:10.1021/ja0302634

data_4100786
_publ_section_title
;
Reactions of a Platinum(III) Dimeric Complex with Alkynes in Water: Novel
Approach to \a-Aminoketone, \a-Iminoketone, and \a,\b-Diimine via
Ketonyl-Pt(III) Dinuclear Complexes
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              2536
_journal_page_last               2545
_journal_paper_doi               10.1021/ja0302634
_journal_volume                  126
_journal_year                    2004
_chemical_formula_sum            'C14 H39 N9 O12 Pt2'
_chemical_formula_weight         915.72
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                88.363(14)
_cell_angle_beta                 82.960(12)
_cell_angle_gamma                84.854(14)
_cell_formula_units_Z            2
_cell_length_a                   9.807(8)
_cell_length_b                   10.045(8)
_cell_length_c                   14.724(11)
_cell_measurement_temperature    293(2)
_cell_volume                     1433.5(19)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    2.122
_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               4100786
Reactivity of Radicals Generated on Irradiation of trans-[Ru(NH3)4(NO2)P(OEt)3](PF6)
Rose Maria Carlos; Daniel Rodrigues Cardoso; Eduardo Ernesto Castellano; Renata Zachi Osti; Ademir João Camargo; Luis Guilherme Macedo; Douglas Wagner Franco; Journal of the American Chemical Society 126 (2004) 2546–2555; doi:10.1021/ja0373263

data_4100787
_publ_contact_author_address
;
Instituto de Quimica de Sao Carlos, Avenida do Trabalhador
Saocarlense 400, Cx Postal 780, CEP 13.566-590,
Sao Carlos, SP, Brazil.
;
_publ_contact_author_email       douglas@iqsc.usp.br
_publ_contact_author_fax         55-16-2730976
_publ_contact_author_name        'Douglas W. Franco'
_publ_section_title
;
Reactivity of Radicals Generated on Irradiation
of trans-[Ru(NH3)4(NO2)P(OEt)3](PF6)
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              2546
_journal_page_last               2555
_journal_paper_doi               10.1021/ja0373263
_journal_volume                  126
_journal_year                    2004
_chemical_formula_moiety         'C6 H27 N5 O5 P Ru, F6 P'
_chemical_formula_sum            'C6 H27 F6 N5 O5 P2 Ru'
_chemical_formula_weight         526.34
_space_group_IT_number           19
_space_group_name_Hall           'P 2ac 2ab'
_space_group_name_H-M_alt        'P 21 21 21'
_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                   10.134(1)
_cell_length_b                   10.200(1)
_cell_length_c                   19.395(1)
_cell_measurement_temperature    120(2)
_cell_volume                     2004.8(3)
_exptl_crystal_density_diffrn    1.744
_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               4100787
Lanthanide Coordination Polymers and Their Ag±Modulated Fluorescence
Weisheng Liu; Tianquan Jiao; Yizhi Li; Quanzhong Liu; Minyu Tan; Hong Wang; Liufang Wang; Journal of the American Chemical Society 126 (2004) 2280–2281; doi:10.1021/ja036635q

data_4100788
_publ_section_title
;
Lanthanide Coordination Polymers and Their Ag+-Modulated Fluorescence
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              2280
_journal_page_last               2281
_journal_paper_doi               10.1021/ja036635q
_journal_volume                  126
_journal_year                    2004
_chemical_formula_sum            'C11 H24 Gd0.5 N2 Na0.5 O7'
_chemical_formula_weight         386.44
_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                 99.840(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   15.458(3)
_cell_length_b                   14.220(3)
_cell_length_c                   14.245(3)
_cell_measurement_temperature    293(2)
_cell_volume                     3085.2(11)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.664
_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        'C11 H24 Gd0.50 N2 Na0.50 O7'
_cod_database_code               4100788
Formation of Pseudorotaxane Induced by Electrochemical Oxidation of Ferrocene-Containing Axis Molecule in the Presence of Crown Ether
Masaki Horie; Yuji Suzaki; Kohtaro Osakada; Journal of the American Chemical Society 126 (2004) 3684–3685; doi:10.1021/ja039899l

data_4100789
_publ_contact_author_email       kosakada@res.titech.ac.jp
_publ_contact_author_fax         81-45-924-5224
_publ_contact_author_name        'Kohtaro Osakada'
_publ_section_title
;
Formation of Pseudorotaxane Induced by Electrochemical Oxidation of
Ferrocene-Containing Axis Molecule in the Presence of Crown Ether
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              3684
_journal_page_last               3685
_journal_paper_doi               10.1021/ja039899l
_journal_volume                  126
_journal_year                    2004
_chemical_formula_moiety         'C43 H54 F6 Fe N O8 P '
_chemical_formula_sum            'C43 H54 F6 Fe N O8 P'
_chemical_formula_weight         913.71
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_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                87.09(3)
_cell_angle_beta                 77.37(2)
_cell_angle_gamma                89.02(2)
_cell_formula_units_Z            2
_cell_length_a                   10.1889(13)
_cell_length_b                   11.050(3)
_cell_length_c                   19.460(2)
_cell_measurement_temperature    93.1
_cell_volume                     2135.1(7)
_exptl_crystal_density_diffrn    1.421
_exptl_crystal_density_meas      1.421
_cod_original_formula_sum        'C43 H54 F6 Fe N O8 P '
_cod_database_code               4100789
Hydration of Nitrosylruthenium Bis(alkynyl) Complexes with Hydrotris(pyrazolyl)borate: Insertion/Hydration and Double Hydration Products
Yasuhiro Arikawa; Yoshimasa Nishimura; Kenta Ikeda; Masayoshi Onishi; Journal of the American Chemical Society 126 (2004) 3706–3707; doi:10.1021/ja039365k

data_4100790
_publ_contact_author_address
;
    Department of Applied Chemistry
    Faculty of Engineering
    Nagasaki University
    Nagasaki 852-8521
    Japan
;
_publ_contact_author_email       onishi@net.nagasaki-u.ac.jp
_publ_contact_author_fax         +81-95-819-2684
_publ_contact_author_name        'Masayoshi Onishi '
_publ_contact_author_phone       +81-95-819-2671
_publ_section_title
;
Hydration of Nitrosylruthenium Bis(alkynyl) Complexes with
Hydrotris(pyrazolyl)borate: Insertion/Hydration and Double Hydration
Products
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              3706
_journal_page_last               3707
_journal_paper_doi               10.1021/ja039365k
_journal_volume                  126
_journal_year                    2004
_chemical_formula_moiety         'C27 H26 B N7 O2 Ru '
_chemical_formula_sum            'C27 H26 B N7 O2 Ru'
_chemical_formula_weight         592.43
_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
_cell_angle_beta                 101.9368(3)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   10.5206(8)
_cell_length_b                   19.820(2)
_cell_length_c                   13.2299(2)
_cell_measurement_temperature    295.2
_cell_volume                     2699.0(3)
_exptl_crystal_density_diffrn    1.458
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_original_formula_sum        'C27 H26 B N7 O2 Ru '
_cod_database_code               4100790
Hydration of Nitrosylruthenium Bis(alkynyl) Complexes with Hydrotris(pyrazolyl)borate: Insertion/Hydration and Double Hydration Products
Yasuhiro Arikawa; Yoshimasa Nishimura; Kenta Ikeda; Masayoshi Onishi; Journal of the American Chemical Society 126 (2004) 3706–3707; doi:10.1021/ja039365k

data_4100791
_publ_contact_author_address
;
    Department of Applied Chemistry
    Faculty of Engineering
    Nagasaki University
    Nagasaki 852-8521
    Japan
;
_publ_contact_author_email       onishi@net.nagasaki-u.ac.jp
_publ_contact_author_fax         +81-95-819-2684
_publ_contact_author_name        'Masayoshi Onishi '
_publ_contact_author_phone       +81-95-819-2671
_publ_section_title
;
Hydration of Nitrosylruthenium Bis(alkynyl) Complexes with
Hydrotris(pyrazolyl)borate: Insertion/Hydration and Double Hydration
Products
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              3706
_journal_page_last               3707
_journal_paper_doi               10.1021/ja039365k
_journal_volume                  126
_journal_year                    2004
_chemical_formula_moiety         'C27 H26 B N7 O2 Ru '
_chemical_formula_sum            'C27 H26 B N7 O2 Ru'
_chemical_formula_weight         592.43
_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                 114.2565(8)
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   24.981(4)
_cell_length_b                   14.817(2)
_cell_length_c                   15.9869(4)
_cell_measurement_temperature    296.2
_cell_volume                     5395(1)
_exptl_crystal_density_diffrn    1.459
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_original_formula_sum        'C27 H26 B N7 O2 Ru '
_cod_database_code               4100791
Hydration of Nitrosylruthenium Bis(alkynyl) Complexes with Hydrotris(pyrazolyl)borate: Insertion/Hydration and Double Hydration Products
Yasuhiro Arikawa; Yoshimasa Nishimura; Kenta Ikeda; Masayoshi Onishi; Journal of the American Chemical Society 126 (2004) 3706–3707; doi:10.1021/ja039365k

data_4100792
_publ_contact_author_address
;
    Department of Applied Chemistry
    Faculty of Engineering
    Nagasaki University
    Nagasaki 852-8521
    Japan
;
_publ_contact_author_email       onishi@net.nagasaki-u.ac.jp
_publ_contact_author_fax         +81-95-819-2684
_publ_contact_author_name        'Masayoshi Onishi '
_publ_contact_author_phone       +81-95-819-2671
_publ_section_title
;
Hydration of Nitrosylruthenium Bis(alkynyl) Complexes with
Hydrotris(pyrazolyl)borate: Insertion/Hydration and Double Hydration
Products
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              3706
_journal_page_last               3707
_journal_paper_doi               10.1021/ja039365k
_journal_volume                  126
_journal_year                    2004
_chemical_formula_moiety         ' C25 H24 B N7 O3 Ru, C2 O1 '
_chemical_formula_sum            'C27 H24 B N7 O4 Ru'
_chemical_formula_weight         622.41
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_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                76.40(1)
_cell_angle_beta                 89.411(3)
_cell_angle_gamma                78.864(2)
_cell_formula_units_Z            2
_cell_length_a                   9.163(2)
_cell_length_b                   12.631(3)
_cell_length_c                   13.078(3)
_cell_measurement_temperature    296.2
_cell_volume                     1442.5(6)
_exptl_crystal_density_diffrn    1.433
_cod_original_formula_sum        'C27 H24 B N7 O4 Ru '
_cod_database_code               4100792
Hydration of Nitrosylruthenium Bis(alkynyl) Complexes with Hydrotris(pyrazolyl)borate: Insertion/Hydration and Double Hydration Products
Yasuhiro Arikawa; Yoshimasa Nishimura; Kenta Ikeda; Masayoshi Onishi; Journal of the American Chemical Society 126 (2004) 3706–3707; doi:10.1021/ja039365k

data_4100793
_publ_contact_author_address
;
    Department of Applied Chemistry
    Faculty of Engineering
    Nagasaki University
    Nagasaki 852-8521
    Japan
;
_publ_contact_author_email       onishi@net.nagasaki-u.ac.jp
_publ_contact_author_fax         +81-95-819-2684
_publ_contact_author_name        'Masayoshi Onishi '
_publ_contact_author_phone       +81-95-819-2671
_publ_section_title
;
Hydration of Nitrosylruthenium Bis(alkynyl) Complexes with
Hydrotris(pyrazolyl)borate: Insertion/Hydration and Double Hydration
Products
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              3706
_journal_page_last               3707
_journal_paper_doi               10.1021/ja039365k
_journal_volume                  126
_journal_year                    2004
_chemical_formula_moiety         'C25 H22 B N7 O2 Ru '
_chemical_formula_sum            'C25 H22 B N7 O2 Ru'
_chemical_formula_weight         564.37
_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                 101.440(1)
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   23.365(4)
_cell_length_b                   10.1610(8)
_cell_length_c                   23.375(1)
_cell_measurement_temperature    295.2
_cell_volume                     5439(1)
_exptl_crystal_density_diffrn    1.378
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_original_formula_sum        'C25 H22 B N7 O2 Ru '
_cod_database_code               4100793
Ru(II)-Catalyzed Chemo- and Regioselective Cyclotrimerization of Three Unsymmetrical Alkynes through Boron Temporary Tether. One-Pot Four-Component Coupling via Cyclotrimerization/Suzuki-Miyaura Coupling
Yoshihiko Yamamoto; Jun-ichi Ishii; Hisao Nishiyama; Kenji Itoh; Journal of the American Chemical Society 126 (2004) 3712–3713; doi:10.1021/ja049673y

data_4100794
_publ_section_title
;
Ru(II)-Catalyzed Chemo- and Regioselective Cyclotrimerization of Three
Unsymmetrical Alkynes through Boron Temporary Tether. One-Pot
Four-Component Coupling via Cyclotrimerization/Suzuki-Miyaura Coupling
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              3712
_journal_page_last               3713
_journal_paper_doi               10.1021/ja049673y
_journal_volume                  126
_journal_year                    2004
_chemical_formula_sum            'C52 H56 N8 O10'
_chemical_formula_weight         959.10
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                101.362(2)
_cell_angle_beta                 104.892(2)
_cell_angle_gamma                92.428(2)
_cell_formula_units_Z            2
_cell_length_a                   9.7951(9)
_cell_length_b                   15.3104(13)
_cell_length_c                   18.4426(17)
_cell_measurement_temperature    173(2)
_cell_volume                     2607.8(4)
_diffrn_ambient_temperature      173(2)
_exptl_crystal_density_diffrn    2.443
_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               4100794
Synthesis and Electronic Properties of Donor-Acceptor π-Conjugated Siloles
A. J. Boydston; Youshi Yin; Brian L. Pagenkopf; Journal of the American Chemical Society 126 (2004) 3724–3725; doi:10.1021/ja049758z

data_4100795
_publ_section_title
;
Synthesis and Electronic Properties of Donor-Acceptor \p-Conjugated
Siloles
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              3724
_journal_page_last               3725
_journal_paper_doi               10.1021/ja049758z
_journal_volume                  126
_journal_year                    2004
_chemical_formula_sum            'C36 H32 N O3 Si'
_chemical_formula_weight         554.72
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                75.116(7)
_cell_angle_beta                 88.385(5)
_cell_angle_gamma                81.432(4)
_cell_formula_units_Z            2
_cell_length_a                   9.7618(10)
_cell_length_b                   11.1373(12)
_cell_length_c                   13.994(2)
_cell_measurement_temperature    153(2)
_cell_volume                     1453.9(3)
_diffrn_ambient_temperature      153(2)
_exptl_crystal_density_diffrn    1.267
_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               4100795