Stimuli-Responsive Reversible Assembly of 2D and 3D Metallosupramolecular Architectures
Paul J. Lusby; Peter Müller; Sarah J. Pike; Alexandra M. Z. Slawin; Journal of the American Chemical Society 131 (2009) 16398–16400; doi:10.1021/ja907297z

data_4105355
_publ_section_title
;
 Stimuli-Responsive Reversible Assembly of 2D and 3D Metallosupramolecular
 Architectures
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              16398
_journal_page_last               16400
_journal_paper_doi               10.1021/ja907297z
_journal_volume                  131
_journal_year                    2009
_chemical_formula_moiety         'C108 H80 F24 N12 P4 Pt4,5(C H3 N O2)'
_chemical_formula_sum            'C113 H95 F24 N17 O10 P4 Pt4'
_chemical_formula_weight         3211.30
_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                97.384(7)
_cell_angle_beta                 100.261(7)
_cell_angle_gamma                116.076(7)
_cell_formula_units_Z            1
_cell_length_a                   13.5137(17)
_cell_length_b                   13.8563(18)
_cell_length_c                   21.010(2)
_cell_measurement_reflns_used    8615
_cell_measurement_temperature    93(2)
_cell_measurement_theta_max      27.8505
_cell_measurement_theta_min      2.6328
_cell_volume                     3380.6(7)
_computing_cell_refinement       'CrystalClear (Rigaku Corp., 2004)'
_computing_data_collection       'CrystalClear (Rigaku Corp., 2004)'
_computing_data_reduction        'CrystalClear (Rigaku Corp., 2004)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      93(2)
_diffrn_measured_fraction_theta_full 0.992
_diffrn_measured_fraction_theta_max 0.982
_diffrn_measurement_device_type  CCD
_diffrn_measurement_method       '\w scans'
_diffrn_radiation_monochromator  confocal
_diffrn_radiation_source         'rotating anode'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0521
_diffrn_reflns_av_sigmaI/netI    0.0492
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            33698
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.30
_diffrn_reflns_theta_min         2.63
_exptl_absorpt_coefficient_mu    4.262
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_correction_T_min  0.8007
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Jacobson, R. (1998) Private communication'
_exptl_crystal_colour            Yellow
_exptl_crystal_density_diffrn    1.577
_exptl_crystal_description       Prism
_exptl_crystal_F_000             1560
_exptl_crystal_size_max          0.1800
_exptl_crystal_size_mid          0.1800
_exptl_crystal_size_min          0.1200
_refine_diff_density_max         3.011
_refine_diff_density_min         -1.804
_refine_diff_density_rms         0.189
_refine_ls_extinction_coef       0.0033(2)
_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   1.046
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     905
_refine_ls_number_reflns         12098
_refine_ls_number_restraints     18
_refine_ls_restrained_S_all      1.045
_refine_ls_R_factor_all          0.0729
_refine_ls_R_factor_gt           0.0673
_refine_ls_shift/su_max          0.146
_refine_ls_shift/su_mean         0.005
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.1196P)^2^+13.6452P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1857
_refine_ls_wR_factor_ref         0.1944
_reflns_number_gt                10719
_reflns_number_total             12098
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ja907297z_si_003.cif
_cod_data_source_block           square
_cod_database_code               4105355