Tethered trinuclear cyclometalated platinum(ii) complexes: from crystal engineering to tunable emission energyElectronic supplementary information (ESI) available: schemetic drawings for 1‒4, perspective view of cation of 4(ClO4)3·1.5Et2O·CH3CN and refinement details for X-ray crystallography. See http://www.rsc.org/suppdata/cc/b2/b200723a/
Lu, Wei; Zhu, Nianyong; Che, Chi-Ming; Chemical Communications  (2002) 900–; doi:10.1039/b200723a

data_7114405
_publ_section_title
;
 Tethered trinuclear cyclometalated platinum(ii) complexes: from crystal
 engineering to tunable emission energyElectronic supplementary
 information (ESI) available: schemetic drawings for 1--4, perspective
 view of cation of 4(ClO4)3&#x00B7;1.5Et2O&#x00B7;CH3CN and refinement
 details for X-ray crystallography. See
 http://www.rsc.org/suppdata/cc/b2/b200723a/
;
_journal_issue                   8
_journal_name_full               'Chemical Communications'
_journal_page_first              900
_journal_paper_doi               10.1039/b200723a
_journal_year                    2002
_chemical_formula_moiety         'C80 H80 Cl3 N6 O12 P3 Pt3'
_chemical_formula_sum            'C90 H85 Cl3 N7 O14 P3 Pt3'
_chemical_formula_weight         2273.22
_chemical_name_systematic        'Complex 2(ClO4)3.2Et2O.CH3CN'
_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                82.20(3)
_cell_angle_beta                 89.42(3)
_cell_angle_gamma                88.49(3)
_cell_formula_units_Z            2
_cell_length_a                   12.398(3)
_cell_length_b                   15.449(3)
_cell_length_c                   23.519(5)
_cell_measurement_reflns_used    0
_cell_measurement_temperature    301(2)
_cell_measurement_theta_max      0
_cell_measurement_theta_min      0
_cell_volume                     4461.4(17)
_computing_cell_refinement       Scalepack
_computing_data_collection       MarControl
_computing_data_reduction        Denzo
_computing_molecular_graphics    'Ortep-3 for Windows (Farrugia, 1997)'
_computing_publication_material  'WinGX publication routines (Farrugia, 1999)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      301(2)
_diffrn_measured_fraction_theta_full 0.912
_diffrn_measured_fraction_theta_max 0.912
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.0377
_diffrn_reflns_av_sigmaI/netI    0.0705
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_number            28959
_diffrn_reflns_theta_full        25.35
_diffrn_reflns_theta_max         25.35
_diffrn_reflns_theta_min         1.33
_exptl_absorpt_coefficient_mu    4.902
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.689
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             2224
_exptl_crystal_size_max          0.3
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.2
_refine_diff_density_max         1.402
_refine_diff_density_min         -2.173
_refine_diff_density_rms         0.203
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.949
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1000
_refine_ls_number_reflns         14897
_refine_ls_number_restraints     8
_refine_ls_restrained_S_all      0.951
_refine_ls_R_factor_all          0.0629
_refine_ls_R_factor_gt           0.0429
_refine_ls_shift/su_max          0.007
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0738P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1120
_refine_ls_wR_factor_ref         0.1248
_reflns_number_gt                10556
_reflns_number_total             14897
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b200723a.txt
_cod_data_source_block           mar362
_cod_database_code               7114405