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_7111353
_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            'C74 H78 N4 O6 P2 Pt'
_chemical_formula_weight         1376.43
_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                76.54(3)
_cell_angle_beta                 89.08(3)
_cell_angle_gamma                69.46(3)
_cell_formula_units_Z            1
_cell_length_a                   9.752(2)
_cell_length_b                   12.068(2)
_cell_length_c                   14.920(3)
_cell_measurement_temperature    180(2)
_cell_volume                     1594.9(7)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      180(2)
_diffrn_measured_fraction_theta_full 0.913
_diffrn_measured_fraction_theta_max 0.913
_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  0.0625
_diffrn_reflns_av_sigmaI/netI    0.0507
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            9542
_diffrn_reflns_theta_full        26.18
_diffrn_reflns_theta_max         26.18
_diffrn_reflns_theta_min         1.41
_diffrn_standards_decay_%        /
_exptl_absorpt_coefficient_mu    2.307
_exptl_absorpt_correction_T_max  /
_exptl_absorpt_correction_T_min  /
_exptl_absorpt_correction_type   /
_exptl_crystal_colour            blue
_exptl_crystal_density_diffrn    1.433
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plates
_exptl_crystal_F_000             706
_exptl_crystal_size_max          2mm
_exptl_crystal_size_mid          1mm
_exptl_crystal_size_min          0.5mm
_refine_diff_density_max         0.820
_refine_diff_density_min         -2.752
_refine_diff_density_rms         0.126
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.024
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     369
_refine_ls_number_reflns         5825
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.024
_refine_ls_R_factor_all          0.0476
_refine_ls_R_factor_gt           0.0474
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0970P)^2^+0.1051P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1208
_refine_ls_wR_factor_ref         0.1217
_reflns_number_gt                5796
_reflns_number_total             5825
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b407067dsup1.cif
_cod_data_source_block           test1
_cod_original_cell_volume        1595.0(6)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7111353