Counterion effect on the formation of coordination polymer networks between AgNO3 and L (2,2′-oxybis(ethane-2,1-diyl) diisonicotinate). Part 2
Sague, Jorge L.; Meuwly, Markus; Fromm, Katharina M.; CrystEngComm 10 (2008) 1542–; doi:10.1039/b803158d

data_7202037
_publ_section_title
;
 Counterion effect on the formation of coordination polymer networks
 between AgNO3 and L (2,2&#x2032;-oxybis(ethane-2,1-diyl)
 diisonicotinate). Part 2
;
_journal_issue                   11
_journal_name_full               CrystEngComm
_journal_page_first              1542
_journal_paper_doi               10.1039/b803158d
_journal_volume                  10
_journal_year                    2008
_chemical_compound_source        'L6 and AgNO3 in THF/Water'
_chemical_formula_sum            'C32 H32 Ag2 N6 O16'
_chemical_formula_weight         972.38
_chemical_melting_point          194
_chemical_name_common            L6AgNO3
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_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                63.18(3)
_cell_angle_beta                 87.13(3)
_cell_angle_gamma                79.87(3)
_cell_formula_units_Z            1
_cell_length_a                   6.9203(14)
_cell_length_b                   12.156(2)
_cell_length_c                   12.332(3)
_cell_measurement_reflns_used    13141
_cell_measurement_temperature    386(2)
_cell_measurement_theta_max      26.87
_cell_measurement_theta_min      3.35
_cell_volume                     910.9(4)
_computing_cell_refinement       'STOE X-AREA'
_computing_data_collection       'STOE X-AREA'
_computing_data_reduction        'STOE X-RED'
_computing_molecular_graphics    'ORTEPII (Johnson, 1976)'
_computing_publication_material  'SHELXL97, SCHAKAL and PLATON (Spek, 2003)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXL97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      293(2)
_diffrn_detector                 'image plate (34 cm diameter)'
_diffrn_detector_area_resol_mean 6.67
_diffrn_measured_fraction_theta_full 0.782
_diffrn_measured_fraction_theta_max 0.782
_diffrn_measurement_device_type  'STOE IPDS 2T'
_diffrn_measurement_method       'rotation method'
_diffrn_radiation_monochromator  'plane graphite'
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0446
_diffrn_reflns_av_sigmaI/netI    0.0232
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_h_min       -6
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            4389
_diffrn_reflns_theta_full        26.87
_diffrn_reflns_theta_max         26.87
_diffrn_reflns_theta_min         3.35
_diffrn_source                   'sealed X-ray tube,12x0.4 mm long-fine focus'
_diffrn_source_current           40
_diffrn_source_power             2.00
_diffrn_source_type              'STOE IPDS II'
_diffrn_source_voltage           50
_diffrn_standards_decay_%        0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.158
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            Colorless
_exptl_crystal_density_diffrn    1.773
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       'Rod-like crystal'
_exptl_crystal_F_000             488
_exptl_crystal_recrystallization_method 'Solvent diffusion'
_refine_diff_density_max         0.421
_refine_diff_density_min         -0.501
_refine_diff_density_rms         0.045
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.066
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     263
_refine_ls_number_reflns         3074
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.066
_refine_ls_R_factor_all          0.0423
_refine_ls_R_factor_gt           0.0386
_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^)+(0.0432P)^2^+0.7474P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0953
_refine_ls_wR_factor_ref         0.0985
_reflns_number_gt                2870
_reflns_number_total             3074
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            b803158d.txt
_cod_data_source_block           Compound-3
_cod_original_cell_volume        910.9(3)
_cod_database_code               7202037