Phosphorescent polymeric nanomaterials with metallophilic d10⋯d10 interactions self-assembled from [Au(NHC)2]+ and [M(CN)2]−
Chen, Yong; Cheng, Gang; Li, Kai; Shelar, Deepak P.; Lu, Wei; Che, Chi-Ming; Chemical Science 5 (2014) 1348–; doi:10.1039/c3sc52989d

data_1513857
_publ_section_title
;
 Phosphorescent polymeric nanomaterials with metallophilic d10&#x22EF;d10
 interactions self-assembled from [Au(NHC)2]+ and [M(CN)2]&#x2212;
;
_journal_issue                   4
_journal_name_full               'Chemical Science'
_journal_page_first              1348
_journal_paper_doi               10.1039/c3sc52989d
_journal_volume                  5
_journal_year                    2014
_chemical_formula_sum            'C12 H16 Au2 N6'
_chemical_formula_weight         638.24
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           12
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 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                 108.223(7)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   15.634(2)
_cell_length_b                   6.3008(7)
_cell_length_c                   8.0648(10)
_cell_measurement_temperature    100(2)
_cell_volume                     754.59(16)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.951
_diffrn_measured_fraction_theta_max 0.951
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_reflns_av_R_equivalents  0.0922
_diffrn_reflns_av_sigmaI/netI    0.0675
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       4
_diffrn_reflns_limit_k_min       -7
_diffrn_reflns_limit_l_max       9
_diffrn_reflns_limit_l_min       -9
_diffrn_reflns_number            3555
_diffrn_reflns_theta_full        63.00
_diffrn_reflns_theta_max         63.00
_diffrn_reflns_theta_min         5.78
_exptl_absorpt_coefficient_mu    36.028
_exptl_crystal_density_diffrn    2.809
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             576
_refine_diff_density_max         3.678
_refine_diff_density_min         -3.688
_refine_diff_density_rms         0.441
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.063
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     47
_refine_ls_number_reflns         642
_refine_ls_number_restraints     40
_refine_ls_restrained_S_all      1.029
_refine_ls_R_factor_all          0.0505
_refine_ls_R_factor_gt           0.0484
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0900P)^2^+2.9577P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1325
_refine_ls_wR_factor_ref         0.1359
_reflns_number_gt                599
_reflns_number_total             642
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c3sc52989d.txt
_cod_data_source_block           cheny39b
_cod_original_cell_volume        754.57(16)
_cod_original_sg_symbol_H-M      'C 2/m'
_cod_database_code               1513857