Rings, chains and helicates: dependence of metallosupramolecular topology on positional substitution within silver(i) complexes of six isomeric bis(2-pyridyloxy)naphthalenes
O'Keefe, Brendan J.; Steel, Peter J.; CrystEngComm 9 (2007) 222–; doi:10.1039/b613689c

data_7202519
_publ_section_title
;
 Rings, chains and helicates: dependence of metallosupramolecular
 topology on positional substitution within silver(i) complexes of six
 isomeric bis(2-pyridyloxy)naphthalenes
;
_journal_issue                   3
_journal_name_full               CrystEngComm
_journal_page_first              222
_journal_paper_doi               10.1039/b613689c
_journal_volume                  9
_journal_year                    2007
_chemical_formula_moiety         'C20 H14 Ag N3 O5'
_chemical_formula_sum            'C20 H14 Ag N3 O5'
_chemical_formula_weight         484.21
_chemical_name_common            'Complex 7'
_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                90.000
_cell_angle_beta                 97.52(2)
_cell_angle_gamma                90.000
_cell_formula_units_Z            4
_cell_length_a                   8.930(2)
_cell_length_b                   17.710(3)
_cell_length_c                   11.524(2)
_cell_measurement_reflns_used    30
_cell_measurement_temperature    163(2)
_cell_measurement_theta_max      15
_cell_measurement_theta_min      10
_cell_volume                     1806.8(6)
_computing_cell_refinement       Xscans
_computing_data_collection       Xscans
_computing_data_reduction        Xscans
_computing_molecular_graphics    Xp
_computing_publication_material  Xcif
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      163(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Siemens P4s'
_diffrn_measurement_method       omega
_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  0.0363
_diffrn_reflns_av_sigmaI/netI    0.1024
_diffrn_reflns_limit_h_max       2
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            3998
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         2.30
_diffrn_standards_decay_%        13.2
_diffrn_standards_interval_count 97
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    1.156
_exptl_absorpt_correction_T_max  0.9132
_exptl_absorpt_correction_T_min  0.5297
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   'XEMP (Sheldrick, 1995)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.780
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             968
_exptl_crystal_size_max          0.63
_exptl_crystal_size_mid          0.11
_exptl_crystal_size_min          0.08
_refine_diff_density_max         1.552
_refine_diff_density_min         -0.434
_refine_diff_density_rms         0.093
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.828
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     262
_refine_ls_number_reflns         3174
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.828
_refine_ls_R_factor_all          0.0827
_refine_ls_R_factor_gt           0.0413
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0383P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0804
_refine_ls_wR_factor_ref         0.0873
_reflns_number_gt                1888
_reflns_number_total             3174
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b613689c.txt
_cod_data_source_block           3test
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               7202519