Intramolecular exchange interaction in twofold spin-labelled platinum complexes
Stroh, Christophe; Mayor, Marcel; von H�nisch, Carsten; Turek, Philippe; Chemical Communications  (2004) 2050–2051; doi:10.1039/b407067d

data_7111354
_publ_section_title
;
 Intramolecular exchange interaction in twofold spin-labelled platinum
 complexes
;
_journal_issue                   18
_journal_name_full               'Chemical Communications'
_journal_page_first              2050
_journal_page_last               2051
_journal_paper_doi               10.1039/b407067d
_journal_year                    2004
_chemical_formula_sum            'C66 H62 N4 O4 P2 Pt'
_chemical_formula_weight         1232.23
_chemical_name_systematic
;
?
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_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                 119.33(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   34.963(7)
_cell_length_b                   9.4928(19)
_cell_length_c                   19.323(4)
_cell_measurement_temperature    200(2)
_cell_volume                     5591(3)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      200(2)
_diffrn_measured_fraction_theta_full 0.821
_diffrn_measured_fraction_theta_max 0.821
_diffrn_measurement_device_type  'Imaging plate'
_diffrn_measurement_method       'Omega 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  0.0401
_diffrn_reflns_av_sigmaI/netI    0.0345
_diffrn_reflns_limit_h_max       43
_diffrn_reflns_limit_h_min       -42
_diffrn_reflns_limit_k_max       9
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            10025
_diffrn_reflns_theta_full        26.10
_diffrn_reflns_theta_max         26.10
_diffrn_reflns_theta_min         1.34
_diffrn_standards_decay_%        /
_exptl_absorpt_coefficient_mu    2.620
_exptl_absorpt_correction_T_max  /
_exptl_absorpt_correction_T_min  /
_exptl_absorpt_correction_type   /
_exptl_crystal_colour            blue
_exptl_crystal_density_diffrn    1.464
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plates
_exptl_crystal_F_000             2504
_exptl_crystal_size_max          2mm
_exptl_crystal_size_mid          1mm
_exptl_crystal_size_min          0.5mm
_refine_diff_density_max         0.715
_refine_diff_density_min         -1.577
_refine_diff_density_rms         0.101
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.032
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     349
_refine_ls_number_reflns         4567
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.032
_refine_ls_R_factor_all          0.0452
_refine_ls_R_factor_gt           0.0362
_refine_ls_shift/su_max          0.073
_refine_ls_shift/su_mean         0.006
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0703P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0984
_refine_ls_wR_factor_ref         0.1018
_reflns_number_gt                3530
_reflns_number_total             4567
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b407067dsup1.cif
_cod_data_source_block           testc2c
_cod_original_cell_volume        5591.3(19)
_cod_original_sg_symbol_H-M      C2/c
_cod_database_code               7111354