sp Carbon Chains Surrounded by sp3 Carbon Double Helices: Directed Syntheses of Wirelike Pt(C\τbC)nPt Moieties That Are Spanned by Two P(CH2)mP Linkages via Alkene Metathesis
Laura de Quadras; Eike B. Bauer; Wolfgang Mohr; James C. Bohling; Thomas B. Peters; José Miguel Martín-Alvarez; Frank Hampel; John A. Gladysz; Journal of the American Chemical Society 129 (2007) 8296–8309; doi:10.1021/ja071612n

data_4109609
_publ_section_title
;
 sp Carbon Chains Surrounded by sp3 Carbon Double Helices: Directed
 Syntheses of Wirelike Pt(C\\tbC)nPt Moieties That Are Spanned by Two
 P(CH2)mP Linkages via Alkene Metathesis
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              8296
_journal_page_last               8309
_journal_paper_doi               10.1021/ja071612n
_journal_volume                  129
_journal_year                    2007
_chemical_formula_sum            'C98 H102 F10 O P4 Pt2'
_chemical_formula_weight         1999.86
_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                71.73(3)
_cell_angle_beta                 84.61(3)
_cell_angle_gamma                78.49(3)
_cell_formula_units_Z            1
_cell_length_a                   11.123(2)
_cell_length_b                   13.502(3)
_cell_length_c                   16.601(3)
_cell_measurement_temperature    173(2)
_cell_volume                     2318.6(9)
_computing_cell_refinement       DENZO-SMN
_computing_data_collection       Collect
_computing_data_reduction        DENZO-SMN
_computing_publication_material  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      173(2)
_diffrn_detector_area_resol_mean 9
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_device_type  'Nonius KappaCCD'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus rotating anode'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0450
_diffrn_reflns_av_sigmaI/netI    0.0777
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            19381
_diffrn_reflns_theta_full        27.17
_diffrn_reflns_theta_max         27.17
_diffrn_reflns_theta_min         1.29
_exptl_absorpt_coefficient_mu    3.147
_exptl_absorpt_correction_T_max  0.8585
_exptl_absorpt_correction_T_min  0.5717
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   Scalepack
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.432
_exptl_crystal_description       plates
_exptl_crystal_F_000             1004
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.05
_refine_diff_density_max         1.329
_refine_diff_density_min         -1.110
_refine_diff_density_rms         0.208
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.029
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     532
_refine_ls_number_reflns         10241
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.029
_refine_ls_R_factor_all          0.0780
_refine_ls_R_factor_gt           0.0426
_refine_ls_shift/su_max          0.128
_refine_ls_shift/su_mean         0.024
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0607P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0956
_refine_ls_wR_factor_ref         0.1150
_reflns_number_gt                7276
_reflns_number_total             10241
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ja071612nsi20070411_101911.cif
_cod_data_source_block           eb04
_cod_original_cell_volume        2318.7(8)
_cod_database_code               4109609