A "Molecular Pivot-Hinge" Based on the pH-Regulated Intramolecular Switching of Pt-Pt and π-π Interactions
Chi-Kin Koo; Benny Lam; Sze-Kar Leung; Michael Hon-Wah Lam; Wai-Yeung Wong; Journal of the American Chemical Society 128 (2006) 16434–16435; doi:10.1021/ja066914o

data_4111304
_publ_section_title
;
 A "Molecular Pivot-Hinge" Based on the pH-Regulated Intramolecular
 Switching of Pt-Pt and \p-\p Interactions
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              16434
_journal_page_last               16435
_journal_paper_doi               10.1021/ja066914o
_journal_volume                  128
_journal_year                    2006
_chemical_formula_sum            'C59 H51 Cl2 N9 O8 P2 Pt2'
_chemical_formula_weight         1537.11
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           2
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_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                91.075(2)
_cell_angle_beta                 104.632(2)
_cell_angle_gamma                100.299(2)
_cell_formula_units_Z            2
_cell_length_a                   13.0285(17)
_cell_length_b                   13.5119(18)
_cell_length_c                   17.081(2)
_cell_measurement_temperature    293(2)
_cell_volume                     2856.1(6)
_computing_cell_refinement       'SAINT (Bruker, 1998)'
_computing_data_collection       'SMART (Bruker, 1997)'
_computing_data_reduction        SAINT
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.980
_diffrn_measured_fraction_theta_max 0.980
_diffrn_measurement_device_type  'Smart CCD'
_diffrn_measurement_method       '\w and \f scan'
_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  0.0255
_diffrn_reflns_av_sigmaI/netI    0.0543
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            14214
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         1.90
_exptl_absorpt_coefficient_mu    5.107
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_correction_T_min  0.5156
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.787
_exptl_crystal_description       plate
_exptl_crystal_F_000             1504
_exptl_crystal_size_max          0.28
_exptl_crystal_size_mid          0.24
_exptl_crystal_size_min          0.13
_refine_diff_density_max         1.303
_refine_diff_density_min         -0.600
_refine_diff_density_rms         0.103
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.987
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     742
_refine_ls_number_reflns         9870
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.987
_refine_ls_R_factor_all          0.0534
_refine_ls_R_factor_gt           0.0313
_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^)+(0.0295P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0652
_refine_ls_wR_factor_ref         0.0727
_reflns_number_gt                7373
_reflns_number_total             9870
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ja066914osi20060926_025056.cif
_cod_data_source_block           wy1488wm
_cod_original_cell_volume        2856.0(6)
_cod_database_code               4111304