sp Carbon Chains Surrounded by sp3 Carbon Double Helices: Coordination-Driven Self-Assembly of Wirelike Pt(C\τbC)nPt Moieties That Are Spanned by Two P(CH2)mP Linkages
Jürgen Stahl; Wolfgang Mohr; Laura de Quadras; Thomas B. Peters; James C. Bohling; José Miguel Martín-Alvarez; Gareth R. Owen; Frank Hampel; John A. Gladysz; Journal of the American Chemical Society 129 (2007) 8282–8295; doi:10.1021/ja0716103

data_4109603
_publ_section_title
;
 sp Carbon Chains Surrounded by sp3 Carbon Double Helices:
 Coordination-Driven Self-Assembly of Wirelike Pt(C\\tbC)nPt Moieties That
 Are Spanned by Two P(CH2)mP Linkages
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              8282
_journal_page_last               8295
_journal_paper_doi               10.1021/ja0716103
_journal_volume                  129
_journal_year                    2007
_chemical_formula_sum            'C166.5 H204 F10 P4 Pt2'
_chemical_formula_weight         2909.35
_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                110.2750(10)
_cell_angle_beta                 101.0840(10)
_cell_angle_gamma                95.3460(10)
_cell_formula_units_Z            2
_cell_length_a                   18.2250(2)
_cell_length_b                   20.9677(2)
_cell_length_c                   22.1980(2)
_cell_measurement_reflns_used    34603
_cell_measurement_temperature    173(2)
_cell_volume                     7690.11(15)
_computing_cell_refinement       Scalepack
_computing_data_collection       'Nonius Collect'
_computing_data_reduction        Scalepack
_computing_molecular_graphics    'SHELXTL NT 5.1'
_computing_publication_material  'SHELX-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 0.996
_diffrn_measured_fraction_theta_max 0.996
_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  0.0512
_diffrn_reflns_av_sigmaI/netI    0.0865
_diffrn_reflns_limit_h_max       23
_diffrn_reflns_limit_h_min       -23
_diffrn_reflns_limit_k_max       27
_diffrn_reflns_limit_k_min       -27
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_number            66646
_diffrn_reflns_theta_full        27.50
_diffrn_reflns_theta_max         27.50
_diffrn_reflns_theta_min         1.01
_exptl_absorpt_coefficient_mu    1.919
_exptl_absorpt_correction_T_max  0.7001
_exptl_absorpt_correction_T_min  0.5967
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   Scalepack
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.256
_exptl_crystal_description       needle
_exptl_crystal_F_000             3017
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.20
_refine_diff_density_max         3.603
_refine_diff_density_min         -0.989
_refine_diff_density_rms         0.129
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.017
_refine_ls_hydrogen_treatment    'riding model'
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1649
_refine_ls_number_reflns         35183
_refine_ls_number_restraints     117
_refine_ls_restrained_S_all      1.024
_refine_ls_R_factor_all          0.0920
_refine_ls_R_factor_gt           0.0437
_refine_ls_shift/su_max          0.287
_refine_ls_shift/su_mean         0.003
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0547P)^2^+0.8187P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0954
_refine_ls_wR_factor_ref         0.1114
_reflns_number_gt                23026
_reflns_number_total             35183
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ja0716103si20070411_100822.cif
_cod_data_source_block           js07
_cod_original_cell_volume        7690.11(13)
_cod_original_formula_sum        'C166.50 H204 F10 P4 Pt2'
_cod_database_code               4109603