Towards multistranded molecular wires: syntheses, structures, and reactivities of tetraplatinum bis(polyynediyl) complexes with [upper bond 1 start]Pt-C(x)-Pt-(P(CH2)3P)2-Pt-C(x)-Pt-(P(CH2)3P[upper bond 1 end])2 cores (x = 4, 6, 8).
Owen, Gareth R.; Gauthier, Sébastien; Weisbach, Nancy; Hampel, Frank; Bhuvanesh, Nattamai; Gladysz, John A.; Dalton transactions (Cambridge, England : 2003) 39 (2010) 5260–5271; doi:10.1039/c002041a

data_7025606
_publ_section_title
;
 Towards multistranded molecular wires: syntheses, structures, and
 reactivities of tetraplatinum bis(polyynediyl) complexes with [upper bond
 1 start]Pt-C(x)-Pt-(P(CH2)3P)2-Pt-C(x)-Pt-(P(CH2)3P[upper bond 1 end])2
 cores (x = 4, 6, 8).
;
_journal_issue                   22
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              5260
_journal_page_last               5271
_journal_paper_doi               10.1039/c002041a
_journal_volume                  39
_journal_year                    2010
_chemical_formula_sum            'C148 H112 Cl8 F20 P8 Pt4'
_chemical_formula_weight         3582.10
_chemical_name_systematic
;
?
;
_space_group_IT_number           60
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2n 2ab'
_symmetry_space_group_name_H-M   'P b c n'
_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                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   26.5408(4)
_cell_length_b                   22.3417(5)
_cell_length_c                   23.4476(5)
_cell_measurement_reflns_used    16021
_cell_measurement_temperature    173(2)
_cell_volume                     13903.6(5)
_computing_cell_refinement       DENZO-SMN
_computing_data_collection       'Nonius Collect'
_computing_data_reduction        DENZO-SMN
_computing_molecular_graphics    'SHELXTL NT'
_computing_publication_material  'SHELXTL NT'
_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 0.993
_diffrn_measured_fraction_theta_max 0.993
_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  0.0391
_diffrn_reflns_av_sigmaI/netI    0.0563
_diffrn_reflns_limit_h_max       34
_diffrn_reflns_limit_h_min       -34
_diffrn_reflns_limit_k_max       28
_diffrn_reflns_limit_k_min       -28
_diffrn_reflns_limit_l_max       30
_diffrn_reflns_limit_l_min       -30
_diffrn_reflns_number            29643
_diffrn_reflns_theta_full        27.47
_diffrn_reflns_theta_max         27.47
_diffrn_reflns_theta_min         1.19
_exptl_absorpt_coefficient_mu    4.336
_exptl_absorpt_correction_T_max  0.9183
_exptl_absorpt_correction_T_min  0.4103
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   Scalepack
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.711
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             6992
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.02
_refine_diff_density_max         1.578
_refine_diff_density_min         -1.524
_refine_diff_density_rms         0.295
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.054
_refine_ls_hydrogen_treatment    'riding model'
_refine_ls_matrix_type           full
_refine_ls_number_parameters     816
_refine_ls_number_reflns         15811
_refine_ls_number_restraints     6
_refine_ls_restrained_S_all      1.054
_refine_ls_R_factor_all          0.0862
_refine_ls_R_factor_gt           0.0431
_refine_ls_shift/su_max          0.011
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0516P)^2^+48.6481P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1030
_refine_ls_wR_factor_ref         0.1268
_reflns_number_gt                10063
_reflns_number_total             15811
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c002041a.txt
_cod_data_source_block           go08
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Orthorhombic' changed to
'orthorhombic' according to
/home/saulius/struct/CIF-dictionaries/cif_core.dic dictionary named
'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 1891 2012-01-12 08:04:46Z andrius 
;
_cod_original_sg_symbol_H-M      Pbcn
_cod_database_code               7025606