Polymer Building Blocks: Self-Assembly of Silver(I) Cyclotriphosphazene Cationic Columns
Eric W. Ainscough; Andrew M. Brodie; Craig V. Depree; Geoffrey B. Jameson; Carl A. Otter; Inorganic Chemistry 44 (2005) 7325–7327; doi:10.1021/ic051334y

data_4309800
_publ_contact_author_address
;
 Chemistry-Institute of Fundamental Sciences, Massey University,
 Private Bag 11222, Palmerston North, New Zealand
;
_publ_contact_author_email       A.M.Brodie@massey.ac.nz
_publ_contact_author_name
;
 Eric w. Ainscough, Andrew M. Brodie, Craig V. Depree, 
 Geoffrey B. Jameson, Carl A. Otter
;
_publ_section_title
;
Polymer Building Blocks: Self-Assembly of Silver(I) Cyclotriphosphazene
Cationic Columns
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              7325
_journal_page_last               7327
_journal_paper_doi               10.1021/ic051334y
_journal_volume                  44
_journal_year                    2005
_chemical_formula_sum            'C82 H85 Cu2 F12 N21 O14 P8'
_chemical_formula_weight         2191.57
_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                 114.9320(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   19.1972(2)
_cell_length_b                   33.2535(4)
_cell_length_c                   16.5053(2)
_cell_measurement_temperature    84(2)
_cell_volume                     9554.6(2)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      84(2)
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'Bruker P4'
_diffrn_measurement_method       'Area detector \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  0.1507
_diffrn_reflns_av_sigmaI/netI    0.1790
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -21
_diffrn_reflns_limit_k_max       36
_diffrn_reflns_limit_k_min       -31
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            42654
_diffrn_reflns_theta_full        23.25
_diffrn_reflns_theta_max         23.25
_diffrn_reflns_theta_min         2.72
_exptl_absorpt_coefficient_mu    0.725
_exptl_absorpt_correction_T_max  0.9647
_exptl_absorpt_correction_T_min  0.7804
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Blessing, Acta Cryst., A51, 33-38'
_exptl_crystal_colour            blue
_exptl_crystal_density_diffrn    1.528
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       needle
_exptl_crystal_F_000             4488
_exptl_crystal_size_max          0.36
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.05
_refine_diff_density_max         0.784
_refine_diff_density_min         -0.422
_refine_diff_density_rms         0.099
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.039
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1314
_refine_ls_number_reflns         13681
_refine_ls_number_restraints     242
_refine_ls_restrained_S_all      1.039
_refine_ls_R_factor_all          0.1742
_refine_ls_R_factor_gt           0.0838
_refine_ls_shift/su_max          1.917
_refine_ls_shift/su_mean         0.024
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0518P)^2^+8.8183P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1424
_refine_ls_wR_factor_ref         0.1754
_reflns_number_gt                7298
_reflns_number_total             13681
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic051334ysi20050805_103536_3.cif
_cod_data_source_block           cao343
_cod_original_cell_volume        9554.64(19)
_cod_database_code               4309800