Synthesis and characterisation of new acetylide-functionalised aromatic and hetero-aromatic ligands and their dinuclear platinum complexes
Muhammad S. Khan; Mohammed K. Al-Suti; Muna R. A. Al-Mandhary; Birte Ahrens; Jens K. Bjernemose; Mary F. Mahon; Louise Male; Paul R. Raithby; Richard H. Friend; Anna Köhler; Joanne S. Wilson; Dalton Trans.  (2003) 65–73; doi:10.1039/b208494e

data_7012201
_publ_section_title
;
 Synthesis and characterisation of new acetylide-functionalised
 aromatic and hetero-aromatic ligands and their dinuclear platinum
 complexes
;
_journal_issue                   1
_journal_name_full               'Dalton Trans.'
_journal_page_first              65
_journal_page_last               73
_journal_paper_doi               10.1039/b208494e
_journal_year                    2003
_chemical_formula_moiety         'C49 H75 N1 P4 Pt2'
_chemical_formula_sum            'C49.5 H76 Cl N P4 Pt2'
_chemical_formula_weight         1234.62
_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                112.3960(10)
_cell_angle_beta                 95.2000(10)
_cell_angle_gamma                94.2820(10)
_cell_formula_units_Z            2
_cell_length_a                   9.17940(10)
_cell_length_b                   16.7290(2)
_cell_length_c                   18.8959(2)
_cell_measurement_reflns_used    58387
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      30.03
_cell_measurement_theta_min      2.91
_cell_volume                     2652.93(6)
_computing_cell_refinement       'HKL Scalepack (Otwinski & Minor, 1997)'
_computing_data_collection       'Collect (Nonius BV, 1997-2000)'
_computing_data_reduction
'HKL Denzo & Scalepack (Otwinski & 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 0.995
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device_type  'Nonius Kappa CCD'
_diffrn_measurement_method       '346 1.7 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  0.0480
_diffrn_reflns_av_sigmaI/netI    0.0371
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            54771
_diffrn_reflns_theta_full        30.05
_diffrn_reflns_theta_max         30.05
_diffrn_reflns_theta_min         3.53
_exptl_absorpt_coefficient_mu    5.470
_exptl_absorpt_correction_T_max  0.622
_exptl_absorpt_correction_T_min  0.140
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details   'Gaussian integration (Coppens, 1970)'
_exptl_crystal_colour            'pale yellow'
_exptl_crystal_density_diffrn    1.546
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             1226
_exptl_crystal_size_max          0.48
_exptl_crystal_size_mid          0.14
_exptl_crystal_size_min          0.10
_refine_diff_density_max         1.946
_refine_diff_density_min         -2.259
_refine_diff_density_rms         0.140
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.077
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     534
_refine_ls_number_reflns         15461
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.077
_refine_ls_R_factor_all          0.0514
_refine_ls_R_factor_gt           0.0387
_refine_ls_shift/su_max          0.034
_refine_ls_shift/su_mean         0.002
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0365P)^2^+8.8287P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0937
_refine_ls_wR_factor_ref         0.1009
_reflns_number_gt                12734
_reflns_number_total             15461
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b208494e.txt
_cod_data_source_block           h01prr55
_cod_original_cell_volume        2652.93(5)
_cod_original_formula_sum        'C49.50 H76 Cl N P4 Pt2'
_cod_database_code               7012201