Synthesis and characterization of platinum(ii) di-ynes and poly-ynes incorporating ethylenedioxythiophene (EDOT) spacers in the backbone.
Khan, Muhammad S.; Al-Suti, Mohammed K; Shah, Hakkikulla H.; Al-Humaimi, Said; Al-Battashi, Fathiya R; Bjernemose, Jens K.; Male, Louise; Raithby, Paul R.; Zhang, Ning; Köhler, Anna; Warren, John E.; Dalton transactions (Cambridge, England : 2003) 40 (2011) 10174–10183; doi:10.1039/c1dt11010a

data_7016910
_publ_section_title
;
 Synthesis and characterization of platinum(ii) di-ynes and poly-ynes
 incorporating ethylenedioxythiophene (EDOT) spacers in the backbone.
;
_journal_issue                   39
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              10174
_journal_page_last               10183
_journal_paper_doi               10.1039/c1dt11010a
_journal_volume                  40
_journal_year                    2011
_chemical_formula_moiety         'C46 H74 O2 P4 Pt2 S'
_chemical_formula_sum            'C46 H74 O2 P4 Pt2 S'
_chemical_formula_weight         1205.17
_chemical_name_common            'k01prr31 1M'
_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                 103.240(1)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   31.8940(3)
_cell_length_b                   9.6610(1)
_cell_length_c                   33.6030(4)
_cell_measurement_reflns_used    146156
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      27.48
_cell_measurement_theta_min      2.91
_cell_volume                     10078.81(19)
_computing_cell_refinement       'HKL Scalepack (Otwinowski & Minor 1997)'
_computing_data_collection       'Collect (Nonius BV, 1997-2000)'
_computing_data_reduction
'HKL Denzo and Scalepack (Otwinowski & Minor 1997)'
_computing_molecular_graphics    'Ortep-3 for Windows (Farrugia, 1997)'
_computing_publication_material  'WinGX publication routines (Farrugia, 1999)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'DirDif-99 (Beurskens, 1999)'
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 0.982
_diffrn_measured_fraction_theta_max 0.982
_diffrn_measurement_device_type  'Nonius KappaCCD'
_diffrn_measurement_method       '850 0.6 degree images'
_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  0.0602
_diffrn_reflns_av_sigmaI/netI    0.0432
_diffrn_reflns_limit_h_max       38
_diffrn_reflns_limit_h_min       -38
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       40
_diffrn_reflns_limit_l_min       -37
_diffrn_reflns_number            39442
_diffrn_reflns_theta_full        25.35
_diffrn_reflns_theta_max         25.35
_diffrn_reflns_theta_min         3.67
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    5.748
_exptl_absorpt_correction_T_max  0.473
_exptl_absorpt_correction_T_min  0.342
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Sortav (Blessing, 1995)'
_exptl_crystal_colour            'Pale yellow'
_exptl_crystal_density_diffrn    1.588
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Block
_exptl_crystal_F_000             4784
_exptl_crystal_size_max          0.24
_exptl_crystal_size_mid          0.23
_exptl_crystal_size_min          0.21
_refine_diff_density_max         1.995
_refine_diff_density_min         -1.496
_refine_diff_density_rms         0.163
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.043
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     416
_refine_ls_number_reflns         9063
_refine_ls_number_restraints     8
_refine_ls_restrained_S_all      1.049
_refine_ls_R_factor_all          0.0645
_refine_ls_R_factor_gt           0.0490
_refine_ls_shift/su_max          0.006
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0545P)^2^+168.1962P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1194
_refine_ls_wR_factor_ref         0.1287
_reflns_number_gt                7364
_reflns_number_total             9063
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c1dt11010a.txt
_cod_data_source_block           k01prr31
_cod_original_cell_volume        10078.8(2)
_cod_original_sg_symbol_H-M      C2/c
_cod_database_code               7016910