Combining two non-innocent ligands in isomeric complexes [Pt(pap)mQn]0 (pap = phenylazopyridine, Q = 3,5-di-tert-butyl-benzoquinone
Sarkar, Biprajit; Hübner, Ralph; Pattacini, Roberto; Hartenbach, Ingo; Dalton Transactions  (2009) 4653–4655; doi:10.1039/b902645b

data_7001475
_publ_section_title
;
 Combining two non-innocent ligands in isomeric complexes [Pt(pap)mQn]0
 (pap = phenylazopyridine, Q = 3,5-di-tert-butyl-benzoquinone
;
_journal_issue                   24
_journal_name_full               'Dalton Transactions'
_journal_page_first              4653
_journal_page_last               4655
_journal_paper_doi               10.1039/b902645b
_journal_year                    2009
_chemical_formula_moiety         'C25 H29 N3 O2 Pt'
_chemical_formula_sum            'C25 H29 N3 O2 Pt'
_chemical_formula_weight         598.60
_chemical_name_systematic
;
?
;
_space_group_IT_number           135
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_Hall  '-P 4c 2ab'
_symmetry_space_group_name_H-M   'P 42/m b c'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   26.8885(12)
_cell_length_b                   26.8885(12)
_cell_length_c                   6.7983(3)
_cell_measurement_reflns_used    6242
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      0.998
_cell_measurement_theta_min      23.11
_cell_volume                     4915.1(4)
_computing_cell_refinement       'DENZO (W. Minor & Z. Otwinowski)'
_computing_data_collection       'Nonius Collect Software'
_computing_data_reduction        'DENZO & SCALEPACK (Minor & Otwinowski)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device_type  'Nonius Kappa-CCD'
_diffrn_measurement_method       'four-circle, ccd detector'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.1097
_diffrn_reflns_av_sigmaI/netI    0.0870
_diffrn_reflns_limit_h_max       29
_diffrn_reflns_limit_h_min       -29
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       7
_diffrn_reflns_limit_l_min       -7
_diffrn_reflns_number            6555
_diffrn_reflns_theta_full        23.24
_diffrn_reflns_theta_max         23.24
_diffrn_reflns_theta_min         1.07
_exptl_absorpt_coefficient_mu    5.734
_exptl_absorpt_correction_T_max  0.71
_exptl_absorpt_correction_T_min  0.36
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   'SCALEPACK (W. Minor & Z. Otwinowski)'
_exptl_crystal_colour            black
_exptl_crystal_density_diffrn    1.618
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       needle
_exptl_crystal_F_000             2352
_exptl_crystal_size_max          0.18
_exptl_crystal_size_mid          0.08
_exptl_crystal_size_min          0.06
_refine_diff_density_max         0.933
_refine_diff_density_min         -0.751
_refine_diff_density_rms         0.168
_refine_ls_extinction_coef       0.00054(6)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.041
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     186
_refine_ls_number_reflns         1938
_refine_ls_number_restraints     168
_refine_ls_restrained_S_all      1.008
_refine_ls_R_factor_all          0.0930
_refine_ls_R_factor_gt           0.0520
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0444P)^2^+17.9226P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0923
_refine_ls_wR_factor_ref         0.1041
_reflns_number_gt                1388
_reflns_number_total             1938
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b902645b.txt
_cod_data_source_block           bsapr08
_cod_original_sg_symbol_H-M      P42/mbc
_cod_database_code               7001475