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_7114406
_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_sum            'C82 H74 Cl3 N7 O13.5 P3 Pt3 S3'
_chemical_formula_weight         2254.19
_chemical_name_systematic        'Complex 4(ClO4)3.1.5Et2O.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                79.99(3)
_cell_angle_beta                 86.05(3)
_cell_angle_gamma                70.32(3)
_cell_formula_units_Z            2
_cell_length_a                   13.134(3)
_cell_length_b                   13.463(3)
_cell_length_c                   25.340(5)
_cell_measurement_temperature    301(2)
_cell_volume                     4154.5(18)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      301(2)
_diffrn_measured_fraction_theta_full 0.832
_diffrn_measured_fraction_theta_max 0.832
_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  0.0624
_diffrn_reflns_av_sigmaI/netI    0.0936
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       30
_diffrn_reflns_limit_l_min       -30
_diffrn_reflns_number            24391
_diffrn_reflns_theta_full        25.61
_diffrn_reflns_theta_max         25.61
_diffrn_reflns_theta_min         1.63
_exptl_absorpt_coefficient_mu    5.335
_exptl_crystal_density_diffrn    1.802
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             2202
_refine_diff_density_max         1.602
_refine_diff_density_min         -3.232
_refine_diff_density_rms         0.342
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.976
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     950
_refine_ls_number_reflns         13020
_refine_ls_number_restraints     64
_refine_ls_restrained_S_all      0.978
_refine_ls_R_factor_all          0.0862
_refine_ls_R_factor_gt           0.0580
_refine_ls_shift/su_max          0.024
_refine_ls_shift/su_mean         0.002
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.1016P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1516
_refine_ls_wR_factor_ref         0.1698
_reflns_number_gt                8788
_reflns_number_total             13020
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b200723a.txt
_cod_data_source_block           mar128
_cod_original_cell_volume        4154.5(14)
_cod_original_formula_sum        'C82 H74 Cl3 N7 O13.50 P3 Pt3 S3'
_cod_database_code               7114406