Neutral Pyridyl-Functionalized C,N-ortho-Chelated Aminoaryl Platinum(II) Corner Building Blocks for Application in Coordination Reactions
Catelijne H. M. Amijs; Alexsandro Berger; Fouad Soulimani; Tom Visser; Gerard P. M. van Klink; Martin Lutz; Anthony L. Spek; Gerard van Koten; Inorganic Chemistry 44 (2005) 6567–6578; doi:10.1021/ic050697v

data_4309598
_publ_contact_author_address
; Bijvoet Center for Biomolecular Research
  Dep. Crystal and Structural Chemistry
  Utrecht University
  Padualaan 8
  3584 CH Utrecht
  The Netherlands
;
_publ_contact_author_email       m.lutz@chem.uu.nl
_publ_contact_author_fax         '[+31] 30 2533940'
_publ_contact_author_name        'Martin Lutz'
_publ_contact_author_phone       '[+31] 30 2533902'
_publ_section_title
;
Neutral Pyridyl-Functionalized C,N-ortho-Chelated Aminoaryl Platinum(II)
Corner Building Blocks for Application in Coordination Reactions
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              6567
_journal_page_last               6578
_journal_paper_doi               10.1021/ic050697v
_journal_volume                  44
_journal_year                    2005
_chemical_formula_moiety         'C52 H68 N8 Pt3, 2(N O3)'
_chemical_formula_sum            'C52 H68 N10 O6 Pt3'
_chemical_formula_weight         1514.43
_chemical_name_systematic
; 
 ? 
;
_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'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     heavy
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 128.2015(6)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   18.1883(3)
_cell_length_b                   21.1087(4)
_cell_length_c                   23.0192(4)
_cell_measurement_reflns_used    193230
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      23.53
_cell_measurement_theta_min      1.02
_cell_volume                     6945.1(2)
_computing_cell_refinement       HKL2000
_computing_data_collection       'Nonius COLLECT'
_computing_data_reduction        'HKL2000, ABST, SortAV, SQUEEZE'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'DIRDIF-99 (Beurskens et al., 1999)'
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'rotating anode'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0739
_diffrn_reflns_av_sigmaI/netI    0.0472
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            70031
_diffrn_reflns_theta_full        23.50
_diffrn_reflns_theta_max         23.50
_diffrn_reflns_theta_min         1.42
_exptl_absorpt_coefficient_mu    6.072
_exptl_absorpt_correction_T_max  0.80785
_exptl_absorpt_correction_T_min  0.20668
_exptl_absorpt_correction_type   analytical
_exptl_crystal_colour            yellowish
_exptl_crystal_density_diffrn    1.448
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       needle
_exptl_crystal_F_000             2928
_exptl_crystal_size_max          0.42
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.04
_refine_diff_density_max         2.458
_refine_diff_density_min         -0.731
_refine_diff_density_rms         0.128
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.080
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     612
_refine_ls_number_reflns         10269
_refine_ls_number_restraints     32
_refine_ls_restrained_S_all      1.078
_refine_ls_R_factor_all          0.0567
_refine_ls_R_factor_gt           0.0405
_refine_ls_shift/su_max          0.020
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0637P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1074
_refine_ls_wR_factor_ref         0.1138
_reflns_number_gt                7459
_reflns_number_total             10269
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            ic050697vsi20050504_091400_1.cif
_cod_data_source_block           s3090a
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               4309598