Silver(I) coordination polymers assembled from flexible cyclotriphosphazene ligand: structures, topologies and investigation of the counteranion effects
Davarcı, Derya; Gür, Rüştü; Beşli, Serap; Şenkuytu, Elif; Zorlu, Yunus; Acta Crystallographica Section B 72 (2016) 344–356; doi:10.1107/S2052520616002663

data_2107500
_publ_section_title
;
 Silver(I) coordination polymers assembled from flexible
 cyclotriphosphazene ligand: structures, topologies and investigation of
 the counteranion effects
;
_journal_issue                   3
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              344
_journal_page_last               356
_journal_paper_doi               10.1107/S2052520616002663
_journal_volume                  72
_journal_year                    2016
_chemical_formula_moiety         'C32 H27 Ag2 N10 O6 P3, 2(BF4)'
_chemical_formula_sum            'C32 H27 Ag2 B2 F8 N10 O6 P3'
_chemical_formula_weight         1129.90
_space_group_crystal_system      triclinic
_space_group_IT_number           1
_space_group_name_Hall           'P 1'
_space_group_name_H-M_alt        'P 1'
_symmetry_space_group_name_Hall  'P 1'
_symmetry_space_group_name_H-M   'P 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           'APEX2 v2014.11-0'
_cell_angle_alpha                99.386(5)
_cell_angle_beta                 99.515(5)
_cell_angle_gamma                103.137(5)
_cell_formula_units_Z            1
_cell_length_a                   8.1432(8)
_cell_length_b                   9.8790(10)
_cell_length_c                   13.5670(15)
_cell_measurement_temperature    300.(2)
_cell_volume                     1025.10(19)
_computing_cell_refinement       'APEX2 (Bruker AXS)'
_computing_data_collection       'APEX2 (Bruker AXS)'
_computing_data_reduction        'SAINT (Bruker AXS)'
_computing_molecular_graphics    'MERCURY (Macrae et al., 2006)'
_computing_publication_material
'PLATON V1.16 (Spek, 2009), SHELXTL V6.14 (Bruker AXS)'
_computing_structure_refinement  'SHELXTL V6.14 (Bruker AXS)'
_computing_structure_solution    'SHELXTL V6.14 (Bruker AXS)'
_diffrn_ambient_temperature      300.(2)
_diffrn_detector_area_resol_mean 8.3333
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_device_type
'Bruker APEX II QUAZAR three-circle diffractometer'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_monochromator  'multilayer QUAZAR mirrors'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0546
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            12958
_diffrn_reflns_theta_full        25.25
_diffrn_reflns_theta_max         25.25
_diffrn_reflns_theta_min         2.92
_exptl_absorpt_coefficient_mu    1.166
_exptl_absorpt_correction_T_max  0.85
_exptl_absorpt_correction_T_min  0.60
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Bruker AXS)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.830
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             558
_exptl_crystal_size_max          0.493
_exptl_crystal_size_mid          0.471
_exptl_crystal_size_min          0.145
_refine_diff_density_max         1.742
_refine_diff_density_min         -1.131
_refine_ls_abs_structure_details
;
Flack x determined using 2307 quotients [(I+)-(I-)]/[(I+)+(I-)]
(Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   0.12(2)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.110
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     569
_refine_ls_number_reflns         6792
_refine_ls_number_restraints     69
_refine_ls_restrained_S_all      1.111
_refine_ls_R_factor_all          0.0796
_refine_ls_R_factor_gt           0.0748
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.1602P)^2^+0.0722P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2109
_refine_ls_wR_factor_ref         0.2174
_reflns_number_gt                6089
_reflns_number_total             6792
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            xk5028sup1.cif
_cod_data_source_block           CCDC1422435
_cod_depositor_comments
'Adding full bibliography for 2107497--2107503.cif.'
_cod_database_code               2107500
_cod_database_fobs_code          2107500