LMucko/crystallography-open-database huggingface dataset:
Electron Density Distribution of an Oxamato Bridged Mn(II)-Cu(II) Bimetallic Chain and Correlation to Magnetic Properties
Sébastien Pillet; Mohamed Souhassou; Corine Mathonière; Claude Lecomte; Journal of the American Chemical Society 126 (2004) 1219–1228; doi:10.1021/ja030279u

data_4100759
_publ_contact_author_address
;
LCM3B, Faculte des sciences
BP 239, 54506 Vandoeuvre les Nancy, France
;
_publ_contact_author_email       ' lecomte@lcm3b.u-nancy.fr '
_publ_contact_author_name        ' Claude Lecomte '
_publ_section_title
;
Electron Density Distribution of an Oxamato Bridged Mn(II)-Cu(II)
Bimetallic Chain and Correlation to Magnetic Properties
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              1219
_journal_page_last               1228
_journal_paper_doi               10.1021/ja030279u
_journal_volume                  126
_journal_year                    2004
_chemical_formula_moiety         'C7 H16 Cu1 Mn1 N2 O11'
_chemical_formula_sum            'C7 H16 Cu Mn N2 O11'
_chemical_formula_weight         422.69
_space_group_IT_number           62
_space_group_name_Hall           '-P 2ac 2n'
_space_group_name_H-M_alt        'P n m a'
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   12.7858(5)
_cell_length_b                   21.2972(8)
_cell_length_c                   5.1864(2)
_cell_measurement_temperature    104(2)
_cell_volume                     1412.27(9)
_diffrn_ambient_temperature      104(2)
_exptl_crystal_density_diffrn    1.988
_cod_original_formula_sum        'C7 H16 Cu1 Mn1 N2 O11'
_cod_database_code               4100759
Donor-Stabilized Cations and Imine Transfer from N-Silylphosphoranimines
Eric Rivard; Keith Huynh; Alan J. Lough; Ian Manners; Journal of the American Chemical Society 126 (2004) 2286–2287; doi:10.1021/ja039549z

data_4100760
_publ_section_title
;
Donor-Stabilized Cations and Imine Transfer from N-Silylphosphoranimines
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              2286
_journal_page_last               2287
_journal_paper_doi               10.1021/ja039549z
_journal_volume                  126
_journal_year                    2004
_chemical_formula_moiety         'C10 H19 Cl2 N3 P Si, C F3 O3 S'
_chemical_formula_sum            'C11 H19 Cl2 F3 N3 O3 P S Si'
_chemical_formula_weight         460.31
_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                88.564(2)
_cell_angle_beta                 86.5951(18)
_cell_angle_gamma                85.039(2)
_cell_formula_units_Z            2
_cell_length_a                   8.0836(4)
_cell_length_b                   8.6430(4)
_cell_length_c                   14.6083(7)
_cell_measurement_temperature    150(1)
_cell_volume                     1014.84(8)
_diffrn_ambient_temperature      150(1)
_exptl_crystal_density_diffrn    1.506
_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               4100760
Lewis Acid-Promoted Carbon-Carbon Bond Cleavage of Aziridines: Divergent Cycloaddition Pathways of the Derived Ylides
Patrick D. Pohlhaus; Roy K. Bowman; Jeffrey S. Johnson; Journal of the American Chemical Society 126 (2004) 2294–2295; doi:10.1021/ja0397963

data_4100761
_publ_section_title
;
Lewis Acid-Promoted Carbon-Carbon Bond Cleavage of Aziridines:
Divergent Cycloaddition Pathways of the Derived Ylides
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              2294
_journal_page_last               2295
_journal_paper_doi               10.1021/ja0397963
_journal_volume                  126
_journal_year                    2004
_chemical_formula_moiety         'C25 H26 Cl N O4 '
_chemical_formula_sum            'C25 H26 Cl N O4'
_chemical_formula_weight         439.93
_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                90.0
_cell_angle_beta                 91.421(1)
_cell_angle_gamma                90.0
_cell_formula_units_Z            4
_cell_length_a                   9.6148(19)
_cell_length_b                   14.361(3)
_cell_length_c                   15.621(3)
_cell_measurement_temperature    173
_cell_volume                     2156.2(8)
_diffrn_ambient_temperature      173
_exptl_crystal_density_diffrn    1.355
_refine_ls_R_factor_obs          0.047
_refine_ls_wR_factor_obs         0.055
_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        'C25 H26 Cl N O4 '
_cod_database_code               4100761
Reductive Activation of Carbon-Fluorine Bonds in Perfluoroalkyl Ligands: An Unexpected Route to the Only Known Tetrafluorobutatriene Transition Metal Complex: Ir(η5-C5Me5)(PMe3)(2,3-η2-CF2CCCF2)
Russell P. Hughes; Roman B. Laritchev; Lev N. Zakharov; Arnold L. Rheingold; Journal of the American Chemical Society 126 (2004) 2308–2309; doi:10.1021/ja031598o

data_4100762
_publ_section_title
;
Reductive Activation of Carbon-Fluorine Bonds in Perfluoroalkyl
Ligands: An Unexpected Route to the Only Known Tetrafluorobutatriene
Transition Metal Complex: Ir(\h5-C5Me5)(PMe3)(2,3-\h2-CF2CCCF2)
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              2308
_journal_page_last               2309
_journal_paper_doi               10.1021/ja031598o
_journal_volume                  126
_journal_year                    2004
_chemical_formula_sum            'C16 H24 F5 I Ir P'
_chemical_formula_weight         661.42
_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                   8.7338(12)
_cell_length_b                   12.7194(17)
_cell_length_c                   18.170(2)
_cell_measurement_temperature    218(2)
_cell_volume                     2018.5(5)
_diffrn_ambient_temperature      218(2)
_exptl_crystal_density_diffrn    2.177
_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               4100762
Reductive Activation of Carbon-Fluorine Bonds in Perfluoroalkyl Ligands: An Unexpected Route to the Only Known Tetrafluorobutatriene Transition Metal Complex: Ir(η5-C5Me5)(PMe3)(2,3-η2-CF2CCCF2)
Russell P. Hughes; Roman B. Laritchev; Lev N. Zakharov; Arnold L. Rheingold; Journal of the American Chemical Society 126 (2004) 2308–2309; doi:10.1021/ja031598o

data_4100763
_publ_section_title
;
Reductive Activation of Carbon-Fluorine Bonds in Perfluoroalkyl
Ligands: An Unexpected Route to the Only Known Tetrafluorobutatriene
Transition Metal Complex: Ir(\h5-C5Me5)(PMe3)(2,3-\h2-CF2CCCF2)
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              2308
_journal_page_last               2309
_journal_paper_doi               10.1021/ja031598o
_journal_volume                  126
_journal_year                    2004
_chemical_formula_sum            'C17 H24 F4 Ir P'
_chemical_formula_weight         527.53
_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                 110.0061(11)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   14.8099(8)
_cell_length_b                   10.7468(6)
_cell_length_c                   12.6011(7)
_cell_measurement_temperature    213(2)
_cell_volume                     1884.56(18)
_diffrn_ambient_temperature      213(2)
_exptl_crystal_density_diffrn    1.859
_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               4100763
Multifunctional Behavior by a Bis-(phosphinimino)methanide Ligand: η2- vs η3-coordination vs Bronsted Basicity
Christine Bibal; Maren Pink; Yegor D. Smurnyy; John Tomaszewski; Kenneth G. Caulton; Journal of the American Chemical Society 126 (2004) 2312–2313; doi:10.1021/ja039711y

data_4100764
_publ_section_title
;
Multifunctional Behavior by a Bis-(phosphinimino)methanide Ligand: \h2-
vs \h3-coordination vs Bronsted Basicity
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              2312
_journal_page_last               2313
_journal_paper_doi               10.1021/ja039711y
_journal_volume                  126
_journal_year                    2004
_chemical_formula_moiety         'C47 H45 N2 P2 Ru, 2(C6 H6), Cl'
_chemical_formula_sum            'C59 H57 Cl N2 P2 Ru'
_chemical_formula_weight         992.53
_space_group_IT_number           29
_space_group_name_Hall           'P 2c -2ac'
_space_group_name_H-M_alt        'P c a 21'
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'P 2c -2ac'
_symmetry_space_group_name_H-M   'P c a 21'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   18.4013(7)
_cell_length_b                   12.0982(5)
_cell_length_c                   22.3482(8)
_cell_measurement_temperature    130(2)
_cell_volume                     4975.2(3)
_diffrn_ambient_temperature      130(2)
_exptl_crystal_density_diffrn    1.325
_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               4100764
Metal Coordination and Imine-Amine Hydrogen Bonding as the Source of Strongly Shifted Adenine pKa Values
Michael Roitzsch; Bernhard Lippert; Journal of the American Chemical Society 126 (2004) 2421–2424; doi:10.1021/ja038834f

data_4100765
_publ_contact_author_address
;
Anorganische Chemie
Universit\"at Dortmund
Otto-Hahn-Str. 6
44227 Dortmund
Germany
;
_publ_contact_author_email       bernhard.lippert@uni-dortmund.de
_publ_contact_author_fax         '+49 231 755 3797'
_publ_contact_author_name        'Lippert, Bernhard'
_publ_contact_author_phone       '+49 231 755 3840'
_publ_section_title
;
Metal Coordination and Imine-Amine Hydrogen Bonding as the Source of
Strongly Shifted Adenine pKa Values
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              2421
_journal_page_last               2424
_journal_paper_doi               10.1021/ja038834f
_journal_volume                  126
_journal_year                    2004
_chemical_formula_moiety         'C14 H34 Cl4 N12 O20 Pt'
_chemical_formula_sum            'C14 H26 Cl4 N12 O20 Pt'
_chemical_formula_weight         1019.35
_chemical_name_common
;
trans-[(NH3)2Pt(1,9-DimeAH-N7)2](ClO4)4*4H2O
;
_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                 105.38(3)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   8.0290(16)
_cell_length_b                   11.253(2)
_cell_length_c                   20.472(4)
_cell_measurement_temperature    293(2)
_cell_volume                     1783.4(6)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.898
_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               4100765
Metal Coordination and Imine-Amine Hydrogen Bonding as the Source of Strongly Shifted Adenine pKa Values
Michael Roitzsch; Bernhard Lippert; Journal of the American Chemical Society 126 (2004) 2421–2424; doi:10.1021/ja038834f

data_4100766
_publ_contact_author_address
;
Anorganische Chemie
Universit\"at Dortmund
Otto-Hahn-Str. 6
44227 Dortmund
Germany
;
_publ_contact_author_email       bernhard.lippert@uni-dortmund.de
_publ_contact_author_fax         '+49 231 755 3797'
_publ_contact_author_name        'Lippert, Bernhard'
_publ_contact_author_phone       '+49 231 755 3840'
_publ_section_title
;
Metal Coordination and Imine-Amine Hydrogen Bonding as the Source of
Strongly Shifted Adenine pKa Values
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              2421
_journal_page_last               2424
_journal_paper_doi               10.1021/ja038834f
_journal_volume                  126
_journal_year                    2004
_chemical_formula_moiety         'C14 H28 N12 O13.5 Cl3 Pt'
_chemical_formula_sum            'C14 H25 Cl3 N12 O13.5 Pt'
_chemical_formula_weight         878.9
_chemical_name_common
;
trans-[(NH3)2Pt(1,9-DimeAH-N7)(1,9-DimeA-N7)](ClO4)3*1.5H2O
;
_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                 96.78(3)
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   13.026(3)
_cell_length_b                   21.698(4)
_cell_length_c                   19.871(4)
_cell_measurement_temperature    100(2)
_cell_volume                     5577.0(19)
_diffrn_ambient_temperature      100(2)
_exptl_crystal_density_diffrn    2.094
_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        'C14 H25 Cl3 N12 O13.50 Pt'
_cod_database_code               4100766
Metal Coordination and Imine-Amine Hydrogen Bonding as the Source of Strongly Shifted Adenine pKa Values
Michael Roitzsch; Bernhard Lippert; Journal of the American Chemical Society 126 (2004) 2421–2424; doi:10.1021/ja038834f

data_4100767
_publ_contact_author_address
;
Anorganische Chemie
Universit\"at Dortmund
Otto-Hahn-Str. 6
44227 Dortmund
Germany
;
_publ_contact_author_email       bernhard.lippert@uni-dortmund.de
_publ_contact_author_fax         '+49 231 755 3797'
_publ_contact_author_name        'Lippert, Bernhard'
_publ_contact_author_phone       '+49 231 755 3840'
_publ_section_title
;
Metal Coordination and Imine-Amine Hydrogen Bonding as the Source of
Strongly Shifted Adenine pKa Values
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              2421
_journal_page_last               2424
_journal_paper_doi               10.1021/ja038834f
_journal_volume                  126
_journal_year                    2004
_chemical_formula_moiety         'C14 H26 Cl2 N12 O9 Pt'
_chemical_formula_sum            'C14 H26 Cl2 N12 O9 Pt'
_chemical_formula_weight         772.46
_chemical_name_common
;
trans-[(NH3)2Pt(1,9-DimeA-N7)2](ClO4)2*H2O
;
_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                101.34(3)
_cell_angle_beta                 100.41(3)
_cell_angle_gamma                101.76(3)
_cell_formula_units_Z            2
_cell_length_a                   8.4270(17)
_cell_length_b                   12.633(3)
_cell_length_c                   13.015(3)
_cell_measurement_temperature    293(2)
_cell_volume                     1294.3(5)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.982
_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               4100767
Molecular Recognition and Fluorescence Sensing of Monophosphorylated Peptides in Aqueous Solution by Bis(zinc(II)-dipicolylamine)-Based Artificial Receptors
Akio Ojida; Yasuko Mito-oka; Kazuki Sada; Itaru Hamachi; Journal of the American Chemical Society 126 (2004) 2454–2463; doi:10.1021/ja038277x

data_4100768
_publ_section_title
;
Molecular Recognition and Fluorescence Sensing of Monophosphorylated
Peptides in Aqueous Solution by Bis(zinc(II)-dipicolylamine)-Based
Artificial Receptors
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              2454
_journal_page_last               2463
_journal_paper_doi               10.1021/ja038277x
_journal_volume                  126
_journal_year                    2004
_chemical_formula_moiety         'C46 H43 N8 O10 P Zn2'
_chemical_formula_sum            'C46 H43 N8 O10 P Zn2'
_chemical_formula_weight         1029.63
_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                109.209(4)
_cell_angle_beta                 109.749(5)
_cell_angle_gamma                80.477(5)
_cell_formula_units_Z            2
_cell_length_a                   12.807(2)
_cell_length_b                   15.541(2)
_cell_length_c                   12.621(1)
_cell_measurement_temperature    173.1
_cell_volume                     2228.5(4)
_exptl_crystal_density_diffrn    1.534
_cod_database_code               4100768
Design, Synthesis, and Crystallographic Studies of Neutral Platinum-Based Macrocycles Formed via Self-Assembly
Partha Sarathi Mukherjee; Neeladri Das; Yury K. Kryschenko; Atta M. Arif; Peter J. Stang; Journal of the American Chemical Society 126 (2004) 2464–2473; doi:10.1021/ja039235b

data_4100769
_publ_section_title
;
Design, Synthesis, and Crystallographic Studies of Neutral Platinum-Based
Macrocycles Formed via Self-Assembly
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              2464
_journal_page_last               2473
_journal_paper_doi               10.1021/ja039235b
_journal_volume                  126
_journal_year                    2004
_chemical_formula_sum            'C132 H234 O21 P12 Pt6'
_chemical_formula_weight         3699.37
_space_group_IT_number           173
_space_group_name_Hall           'P 6c'
_space_group_name_H-M_alt        'P 63'
_symmetry_cell_setting           hexagonal
_symmetry_space_group_name_Hall  'P 6c'
_symmetry_space_group_name_H-M   'P 63'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                120.00
_cell_formula_units_Z            2
_cell_length_a                   26.4164(5)
_cell_length_b                   26.4164(5)
_cell_length_c                   13.6104(2)
_cell_measurement_temperature    150(1)
_cell_volume                     8225.2(3)
_diffrn_ambient_temperature      150(1)
_exptl_crystal_density_diffrn    1.494
_cod_database_code               4100769
Design, Synthesis, and Crystallographic Studies of Neutral Platinum-Based Macrocycles Formed via Self-Assembly
Partha Sarathi Mukherjee; Neeladri Das; Yury K. Kryschenko; Atta M. Arif; Peter J. Stang; Journal of the American Chemical Society 126 (2004) 2464–2473; doi:10.1021/ja039235b

data_4100770
_publ_section_title
;
Design, Synthesis, and Crystallographic Studies of Neutral Platinum-Based
Macrocycles Formed via Self-Assembly
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              2464
_journal_page_last               2473
_journal_paper_doi               10.1021/ja039235b
_journal_volume                  126
_journal_year                    2004
_chemical_formula_sum            'C140 H218 Cl6 O12 P12 Pt6'
_chemical_formula_weight         3848.02
_space_group_IT_number           173
_space_group_name_Hall           'P 6c'
_space_group_name_H-M_alt        'P 63'
_symmetry_cell_setting           hexagonal
_symmetry_space_group_name_Hall  'P 6c'
_symmetry_space_group_name_H-M   'P 63'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                120.00
_cell_formula_units_Z            2
_cell_length_a                   26.2312(9)
_cell_length_b                   26.2312(9)
_cell_length_c                   14.5061(5)
_cell_measurement_temperature    150(1)
_cell_volume                     8644.1(5)
_diffrn_ambient_temperature      150(1)
_exptl_crystal_density_diffrn    1.478
_cod_database_code               4100770