Flexible pyridyloxy-substituted cyclotetraphosphazene platforms linked by silver(i)
Ainscough, Eric W.; Brodie, Andrew M.; Davidson, Ross J.; Jameson, Geoffrey B.; Otter, Carl A.; CrystEngComm 15 (2013) 4379–; doi:10.1039/c3ce40395e

data_7210192
_publ_section_title
;
 Flexible pyridyloxy-substituted cyclotetraphosphazene platforms linked by
 silver(i)
;
_journal_issue                   21
_journal_name_full               CrystEngComm
_journal_page_first              4379
_journal_paper_doi               10.1039/c3ce40395e
_journal_volume                  15
_journal_year                    2013
_chemical_formula_moiety         '2(C21 H16 Ag F3 N6 O7 P2 S), 2(C2), 0.5(O2)'
_chemical_formula_sum            'C46 H32 Ag2 F6 N12 O15 P4 S2'
_chemical_formula_weight         1510.60
_chemical_name_systematic
;
?
;
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_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                110.32(3)
_cell_angle_beta                 91.58(3)
_cell_angle_gamma                92.00(3)
_cell_formula_units_Z            1
_cell_length_a                   8.8370(18)
_cell_length_b                   12.822(3)
_cell_length_c                   13.162(3)
_cell_measurement_temperature    200(2)
_cell_volume                     1396.4(6)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      200(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega 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  0.0877
_diffrn_reflns_av_sigmaI/netI    0.0433
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            24098
_diffrn_reflns_theta_full        25.35
_diffrn_reflns_theta_max         25.35
_diffrn_reflns_theta_min         2.75
_exptl_absorpt_coefficient_mu    0.989
_exptl_absorpt_correction_T_max  1
_exptl_absorpt_correction_T_min  0.733145
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.796
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             762
_exptl_crystal_size_max          0.67
_exptl_crystal_size_mid          0.40
_exptl_crystal_size_min          0.30
_refine_diff_density_max         0.629
_refine_diff_density_min         -0.928
_refine_diff_density_rms         0.166
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.064
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     425
_refine_ls_number_reflns         5114
_refine_ls_number_restraints     105
_refine_ls_restrained_S_all      1.066
_refine_ls_R_factor_all          0.0302
_refine_ls_R_factor_gt           0.0267
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0301P)^2^+1.2154P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0680
_refine_ls_wR_factor_ref         0.0697
_reflns_number_gt                4964
_reflns_number_total             5114
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c3ce40395e.txt
_cod_data_source_block           ag2otf2n
_cod_original_cell_volume        1396.4(5)
_cod_original_sg_symbol_H-M      P-1
_cod_original_formula_sum        'C46 H32 Ag2 F6 N12 O15 P4 S2 '
_cod_database_code               7210192