Ag(i)-mediated formation of a 2D cyano-bridged multinuclear silver(i) alkynyl network coupled with the C‒C bond cleavage of acetonitrile
Zhou, Kun; Qin, Chao; Wang, Xin-Long; Yan, Li-Kai; Shao, Kui-Zhan; Su, Zhong-Min; CrystEngComm 16 (2014) 10376–; doi:10.1039/C4CE01707B

data_7218669
_publ_section_title
;
 Ag(i)-mediated formation of a 2D cyano-bridged multinuclear silver(i)
 alkynyl network coupled with the C--C bond cleavage of acetonitrile
;
_journal_issue                   45
_journal_name_full               CrystEngComm
_journal_page_first              10376
_journal_paper_doi               10.1039/C4CE01707B
_journal_volume                  16
_journal_year                    2014
_chemical_formula_sum            'C67 H90 Ag15 F6 N3 O4'
_chemical_formula_weight         2733.47
_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
_cell_angle_alpha                90.00
_cell_angle_beta                 107.3150(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   14.6834(14)
_cell_length_b                   14.9015(14)
_cell_length_c                   20.0367(18)
_cell_measurement_reflns_used    20654
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      25.00
_cell_measurement_theta_min      1.45
_cell_volume                     4185.4(7)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'SHELXS-97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXL-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device_type  'Bruker SMART Apex II CCD Detector'
_diffrn_measurement_method       '\w scans'
_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  0.0511
_diffrn_reflns_av_sigmaI/netI    0.0632
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            20654
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         1.45
_exptl_absorpt_coefficient_mu    3.475
_exptl_absorpt_correction_T_max  0.5020
_exptl_absorpt_correction_T_min  0.4652
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS, Sheldrick (2008)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    2.169
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       strip
_exptl_crystal_F_000             2608
_exptl_crystal_size_max          0.26
_exptl_crystal_size_mid          0.24
_exptl_crystal_size_min          0.23
_refine_diff_density_max         1.872
_refine_diff_density_min         -1.470
_refine_diff_density_rms         0.165
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.028
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     413
_refine_ls_number_reflns         7327
_refine_ls_number_restraints     1639
_refine_ls_restrained_S_all      0.972
_refine_ls_R_factor_all          0.0991
_refine_ls_R_factor_gt           0.0553
_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^)+(0.0687P)^2^+17.7512P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1356
_refine_ls_wR_factor_ref         0.1572
_reflns_number_gt                4486
_reflns_number_total             7327
_reflns_threshold_expression     >2\s(I)
_cod_data_source_file            c4ce01707b2.cif
_cod_data_source_block           aaa
_cod_original_sg_symbol_H-M      P21/c
_cod_database_code               7218669