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_7210191
_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         'C42 H32 Ag2 F6 N12 O14 P4 S2'
_chemical_formula_sum            'C42 H32 Ag2 F6 N12 O14 P4 S2'
_chemical_formula_weight         1446.54
_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                103.983(6)
_cell_angle_beta                 96.807(6)
_cell_angle_gamma                103.934(6)
_cell_formula_units_Z            2
_cell_length_a                   8.8673(13)
_cell_length_b                   14.964(2)
_cell_length_c                   20.803(4)
_cell_measurement_reflns_used    2826
_cell_measurement_temperature    198(2)
_cell_measurement_theta_max      29.16
_cell_measurement_theta_min      2.41
_cell_volume                     2553.6(7)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      198(2)
_diffrn_measured_fraction_theta_full 0.952
_diffrn_measured_fraction_theta_max 0.952
_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  0.0593
_diffrn_reflns_av_sigmaI/netI    0.1255
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            15442
_diffrn_reflns_theta_full        26.37
_diffrn_reflns_theta_max         26.37
_diffrn_reflns_theta_min         2.79
_exptl_absorpt_coefficient_mu    1.075
_exptl_absorpt_correction_T_max  1
_exptl_absorpt_correction_T_min  0.590871
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS 2004'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.881
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       needle
_exptl_crystal_F_000             1440
_exptl_crystal_size_max          0.70
_exptl_crystal_size_mid          0.14
_exptl_crystal_size_min          0.06
_refine_diff_density_max         2.154
_refine_diff_density_min         -1.315
_refine_diff_density_rms         0.177
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.046
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     861
_refine_ls_number_reflns         9926
_refine_ls_number_restraints     434
_refine_ls_restrained_S_all      1.032
_refine_ls_R_factor_all          0.1359
_refine_ls_R_factor_gt           0.0784
_refine_ls_shift/su_max          0.016
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0852P)^2^+23.2992P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1968
_refine_ls_wR_factor_ref         0.2259
_reflns_number_gt                5823
_reflns_number_total             9926
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c3ce40395e.txt
_cod_data_source_block           '[ag2l](otf)2'
_cod_original_cell_volume        2553.5(7)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7210191