Synthesis, characterisation and speciation studies of heterobimetallic pyridinehydroxamate-bridged Pt(II)/M(II) complexes (M = Cu, Ni, Zn). Crystal structure of a novel heterobimetallic 3-pyridinehydroxamate-bridged Pt(II)/Cu(II) wave-like coordination polymer.
Mulcahy, Clodagh; Dolgushin, Fedor M.; Krot, Krystyna A.; Griffith, Darren; Marmion, Celine J.; Dalton transactions (Cambridge, England : 2003)  (2005) 1993–1998; doi:10.1039/b501105a

data_7008299
_publ_section_title
;
 Synthesis, characterisation and speciation studies of heterobimetallic
 pyridinehydroxamate-bridged Pt(II)/M(II) complexes (M = Cu, Ni, Zn).
 Crystal structure of a novel heterobimetallic
 3-pyridinehydroxamate-bridged Pt(II)/Cu(II) wave-like coordination
 polymer.
;
_journal_issue                   11
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              1993
_journal_page_last               1998
_journal_paper_doi               10.1039/b501105a
_journal_year                    2005
_chemical_formula_moiety         'C12 H16 Cu N6 O4 Pt +2, O4 S -2, 8(H2 O)'
_chemical_formula_sum            'C12 H32 Cu N6 O16 Pt S'
_chemical_formula_weight         807.13
_chemical_name_systematic
;
?
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                80.524(5)
_cell_angle_beta                 81.164(5)
_cell_angle_gamma                72.404(5)
_cell_formula_units_Z            2
_cell_length_a                   8.268(2)
_cell_length_b                   10.003(2)
_cell_length_c                   17.156(4)
_cell_measurement_reflns_used    1669
_cell_measurement_temperature    120(2)
_cell_measurement_theta_max      22.7
_cell_measurement_theta_min      2.2
_cell_volume                     1325.9(5)
_computing_cell_refinement       'SAINTPlus (Bruker, 1998a)'
_computing_data_collection       'SMART (Bruker, 1998b)'
_computing_data_reduction        'SAINTPlus (Bruker, 1998a)'
_computing_molecular_graphics    'SHELXTL ver. 5.1 (Sheldrick, 1998b)'
_computing_publication_material  'SHELXTL ver. 5.1 (Sheldrick, 1998b)'
_computing_structure_refinement  'SHELXTL ver. 5.1 (Sheldrick, 1998b)'
_computing_structure_solution    'SHELXTL ver. 5.1 (Sheldrick, 1998b)'
_diffrn_ambient_temperature      120(2)
_diffrn_measured_fraction_theta_full 0.964
_diffrn_measured_fraction_theta_max 0.964
_diffrn_measurement_device_type  'Bruker SMART 1000 CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'normal-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0943
_diffrn_reflns_av_sigmaI/netI    0.1742
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            9679
_diffrn_reflns_theta_full        26.10
_diffrn_reflns_theta_max         26.10
_diffrn_reflns_theta_min         2.15
_exptl_absorpt_coefficient_mu    6.231
_exptl_absorpt_correction_T_max  0.694
_exptl_absorpt_correction_T_min  0.318
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Sheldrick, 1998a)'
_exptl_crystal_colour            chlorine
_exptl_crystal_density_diffrn    2.022
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             794
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.05
_refine_diff_density_max         2.234
_refine_diff_density_min         -1.863
_refine_diff_density_rms         0.256
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.007
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     337
_refine_ls_number_reflns         5093
_refine_ls_number_restraints     6
_refine_ls_restrained_S_all      1.007
_refine_ls_R_factor_all          0.1402
_refine_ls_R_factor_gt           0.0737
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0642P)^2^+2.3100P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1517
_refine_ls_wR_factor_ref         0.1736
_reflns_number_gt                2777
_reflns_number_total             5093
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            b501105a.txt
_cod_data_source_block           cp15
_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               7008299