Supramolecular assembly of a phosphole-based moiety into nanostructures dictated by alkynylplatinum(ii) terpyridine complexes through non-covalent Pt⋯Pt and π‒π stacking interactions: synthesis, characterization, photophysics and self-assembly behaviors
Leung, Sammual Yu-Lut; Evariste, Sloane; Lescop, Christophe; Hissler, Muriel; Yam, Vivian Wing-Wah; Chem. Sci.  (2017) –; doi:10.1039/C7SC00041C

data_1545771
_publ_section_title
;
 Supramolecular assembly of a phosphole-based moiety into nanostructures
 dictated by alkynylplatinum(ii) terpyridine complexes through
 non-covalent Pt&#x22EF;Pt and \p--\p stacking interactions: synthesis,
 characterization, photophysics and self-assembly behaviors
;
_journal_name_full               'Chem. Sci.'
_journal_paper_doi               10.1039/C7SC00041C
_journal_year                    2017
_chemical_formula_moiety         'C72 H83 Cl0 F0 N6 O0 P Pt2 S'
_chemical_formula_sum            'C72 H83 Cl0 F0 N6 O0 P Pt2 S'
_chemical_formula_weight         1485.65
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_audit_update_record
;
2016-09-24 deposited with the CCDC.
2017-03-20 downloaded from the CCDC.
;
_cell_angle_alpha                90.00
_cell_angle_beta                 97.536(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   13.7722(6)
_cell_length_b                   39.9563(16)
_cell_length_c                   17.7098(7)
_cell_measurement_reflns_used    3584
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      21.98
_cell_measurement_theta_min      2.32
_cell_volume                     9661.3(7)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 0.989
_diffrn_measured_fraction_theta_max 0.989
_diffrn_measurement_device_type  CCD
_diffrn_measurement_method       none
_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  0.0951
_diffrn_reflns_av_sigmaI/netI    0.2148
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       51
_diffrn_reflns_limit_k_min       -45
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            44633
_diffrn_reflns_theta_full        27.50
_diffrn_reflns_theta_max         27.50
_diffrn_reflns_theta_min         1.02
_diffrn_standards_decay_%        none
_exptl_absorpt_coefficient_mu    2.962
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            black
_exptl_crystal_density_diffrn    1.021
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       rod
_exptl_crystal_F_000             2976
_exptl_crystal_size_max          0.18
_exptl_crystal_size_mid          0.05
_exptl_crystal_size_min          0.04
_refine_diff_density_max         1.616
_refine_diff_density_min         -2.872
_refine_diff_density_rms         0.255
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.893
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     717
_refine_ls_number_reflns         21914
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.893
_refine_ls_R_factor_all          0.1478
_refine_ls_R_factor_gt           0.0780
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.1060P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2031
_refine_ls_wR_factor_ref         0.2237
_reflns_number_gt                9727
_reflns_number_total             21914
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c7sc00041c2.cif
_cod_data_source_block           sq
_cod_original_sg_symbol_H-M      P21/c
_cod_database_code               1545771