<i>catena</i>-Poly[[silver(I)-μ-{bis[4-(2-pyridylmethyleneamino)phenyl] ether}] trifluoromethanesulfonate 0.4-hydrate]: a zigzag coordination polymer
Vallina, Ana Tesouro; Stoeckli-Evans, Helen; Acta Crystallographica Section E 57 (2001) m59–m61; doi:10.1107/S1600536800020869

data_2200215
_publ_section_title
;
 <i>catena</i>-Poly[[silver(I)-\m-{bis[4-(2-pyridylmethyleneamino)phenyl]
 ether}] trifluoromethanesulfonate 0.4-hydrate]: a zigzag coordination
 polymer
;
_journal_issue                   2
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m59
_journal_page_last               m61
_journal_paper_doi               10.1107/S1600536800020869
_journal_volume                  57
_journal_year                    2001
_chemical_formula_iupac          '[Ag (C24 H18 N4 O1)] C F3 S O3, 0.4H2 O'
_chemical_formula_moiety         'C24 H18 Ag1 N4 O1 1+, C F3 S O3 1-, 0.4H2 O'
_chemical_formula_sum            'C25 H18.8 Ag F3 N4 O4.4 S'
_chemical_formula_weight         642.57
_chemical_name_systematic
;
 ?
;
_space_group_IT_number           54
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2a 2ac'
_symmetry_space_group_name_H-M   'P c c a'
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   15.3582(15)
_cell_length_b                   11.6957(12)
_cell_length_c                   14.8253(12)
_cell_measurement_reflns_used    5109
_cell_measurement_temperature    153(2)
_cell_measurement_theta_max      25.90
_cell_measurement_theta_min      2.58
_cell_volume                     2663.0(4)
_computing_cell_refinement       'CELL (Stoe & Cie, 1997)'
_computing_data_collection       'EXPOSE (Stoe & Cie, 1997)'
_computing_data_reduction        'INTEGRATE (Stoe & Cie, 1997)'
_computing_molecular_graphics    'PLATON99 (Spek, 1990)'
_computing_publication_material  SHELXL97
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      153(2)
_diffrn_detector_area_resol_mean .81
_diffrn_measured_fraction_theta_full .997
_diffrn_measured_fraction_theta_max .997
_diffrn_measurement_device_type  'STOE IPDS'
_diffrn_measurement_method       '\f oscillation'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     .71073
_diffrn_reflns_av_R_equivalents  .180
_diffrn_reflns_av_sigmaI/netI    .152
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            19496
_diffrn_reflns_theta_full        25.9
_diffrn_reflns_theta_max         25.90
_diffrn_reflns_theta_min         2.58
_diffrn_standards_decay_%        0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    .90
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            'pale yellow'
_exptl_crystal_density_diffrn    1.603
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1288
_exptl_crystal_size_max          .25
_exptl_crystal_size_mid          .10
_exptl_crystal_size_min          .05
_refine_diff_density_max         .59
_refine_diff_density_min         -.68
_refine_ls_extinction_coef       .0014(3)
_refine_ls_extinction_method     SHELXL97
_refine_ls_goodness_of_fit_ref   .74
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     212
_refine_ls_number_reflns         2588
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      .74
_refine_ls_R_factor_all          .124
_refine_ls_R_factor_gt           .042
_refine_ls_shift/su_max          <0.001
_refine_ls_shift/su_mean         <0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w = /[\s^2^(Fo^2^)+(0.04P)^2^] where P = Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         .095
_reflns_number_gt                1105
_reflns_number_total             2588
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            om6002.cif
_cod_data_source_block           I
_cod_depositor_comments
;
The following automatic conversions were performed:

'_exptl_crystal_density_meas' value 'none' was changed to '?' - the
value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 3008 2015-01-20 13:52:24Z robertas 
;
_cod_original_formula_sum        'C25 H18.80 Ag F3 N4 O4.40 S'
_cod_database_code               2200215
_cod_database_fobs_code          2200215