Wire like diplatinum, triplatinum, and tetraplatinum complexes featuring X[PtC[triple bond, length as m-dash]CC[triple bond, length as m-dash]CC[triple bond, length as m-dash]CC[triple bond, length as m-dash]C]<sub>m</sub>PtX segments; iterative syntheses and functionalization for measurements of single molecule properties.
Zheng, Qinglin; Schneider, Jakob F.; Amini, Hashem; Hampel, Frank; Gladysz, John A.; Dalton transactions (Cambridge, England : 2003) 48 (2019) 5800–5816; doi:10.1039/c9dt00870e

data_7049542
_publ_section_title
;
 Wire like diplatinum, triplatinum, and tetraplatinum complexes featuring
 X[PtC[triple bond, length as m-dash]CC[triple bond, length as
 m-dash]CC[triple bond, length as m-dash]CC[triple bond, length as
 m-dash]C]<sub>m</sub>PtX segments; iterative syntheses and
 functionalization for measurements of single molecule properties.
;
_journal_issue                   17
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              5800
_journal_page_last               5816
_journal_paper_doi               10.1039/c9dt00870e
_journal_volume                  48
_journal_year                    2019
_chemical_formula_moiety         'C106 H102 P4 Pt2 Si2'
_chemical_formula_sum            'C106 H102 P4 Pt2 Si2'
_chemical_formula_weight         1946.11
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_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
_audit_creation_date             2019-02-15
_audit_creation_method
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_audit_update_record
;
2019-02-22 deposited with the CCDC.    2019-04-01 downloaded from the CCDC.
;
_cell_angle_alpha                93.57(4)
_cell_angle_beta                 108.77(5)
_cell_angle_gamma                96.43(5)
_cell_formula_units_Z            1
_cell_length_a                   11.607(8)
_cell_length_b                   14.949(6)
_cell_length_c                   15.867(11)
_cell_measurement_reflns_used    15
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      27.48
_cell_measurement_theta_min      1.0
_cell_volume                     2576(3)
_computing_cell_refinement       'Nonius EXPRESS'
_computing_data_collection       'Nonius EXPRESS'
_computing_data_reduction        'Nonius MoleN'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'ShelXS (Sheldrick, 2008)'
_diffrn_ambient_temperature      173.15
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.987
_diffrn_measurement_device_type  'Bruker P4'
_diffrn_measurement_method       '\w scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0940
_diffrn_reflns_av_unetI/netI     0.1496
_diffrn_reflns_Laue_measured_fraction_full 0.996
_diffrn_reflns_Laue_measured_fraction_max 0.987
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            10788
_diffrn_reflns_point_group_measured_fraction_full 0.996
_diffrn_reflns_point_group_measured_fraction_max 0.987
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.352
_diffrn_reflns_theta_min         3.654
_exptl_absorpt_coefficient_mu    2.839
_exptl_absorpt_correction_T_max  0.7644
_exptl_absorpt_correction_T_min  0.4830
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   Scalepack
_exptl_crystal_colour            'clear light yellow'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   light
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    1.254
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             982
_exptl_crystal_recrystallization_method 'crystallized feom DCM/Acetone'
_exptl_crystal_size_max          0.3
_exptl_crystal_size_mid          0.3
_exptl_crystal_size_min          0.1
_refine_diff_density_max         2.080
_refine_diff_density_min         -1.460
_refine_diff_density_rms         0.180
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.977
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     502
_refine_ls_number_reflns         10398
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.977
_refine_ls_R_factor_all          0.1358
_refine_ls_R_factor_gt           0.0743
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0950P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1566
_refine_ls_wR_factor_ref         0.1858
_reflns_Friedel_coverage         0.000
_reflns_number_gt                6086
_reflns_number_total             10398
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c9dt00870e2.cif
_cod_data_source_block           qz04
_cod_depositor_comments
'Adding full bibliography for 7049542--7049544.cif.'
_cod_database_code               7049542
_shelxl_version_number           2014/6
_shelx_estimated_absorpt_t_max   0.764
_shelx_estimated_absorpt_t_min   0.483
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Uiso/Uaniso restraints and constraints
Uanis(C15) = Uanis(C16) = Uanis(C17)
3.a Me refined with riding coordinates:
 C15(H15A,H15B,H15C), C16(H16A,H16B,H16C), C17(H17A,H17B,H17C), C24A(H24A,H24B,
 H24C), C34A(H34A,H34B,H34C), C44A(H44A,H44B,H44C), C54A(H54A,H54B,H54C),
 C64A(H64A,H64B,H64C), C74A(H74A,H74B,H74C)
3.b Aromatic/amide H refined with riding coordinates:
 C22(H22), C23(H23), C25(H25), C26(H26), C32(H32), C33(H33), C35(H35),
 C36(H36), C42(H42), C43(H43), C45(H45), C46(H46), C52(H52), C53(H53), C55(H55),
  C56(H56), C62(H62), C63(H63), C65(H65), C66(H66), C72(H72), C73(H73),
 C75(H75), C76(H76)
;
_olex2_exptl_crystal_mounting_method 'mounted on a glasfibre'
_olex2_submission_special_instructions 'No special instructions were received'