Crystal structure of a two-dimensional grid-type iron(II) coordination polymer: poly[[diaquatetra-μ-cyanido-diargentate(I)iron(II)] <i>trans</i>-1,2-bis(pyridin-2-yl)ethylene disolvate]
Othong, Jintana; Wannarit, Nanthawat; Pakawatchai, Chaveng; Youngme, Sujittra; Acta Crystallographica Section E 70 (2014) 107–110; doi:10.1107/S1600536814016250

data_2239801
_publ_section_title
;
 Crystal structure of a two-dimensional grid-type iron(II) coordination
 polymer: poly[[diaquatetra-\m-cyanido-diargentate(I)iron(II)]
 <i>trans</i>-1,2-bis(pyridin-2-yl)ethylene disolvate]
;
_journal_coeditor_code           VN2085
_journal_issue                   8
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              107
_journal_page_last               110
_journal_paper_doi               10.1107/S1600536814016250
_journal_volume                  70
_journal_year                    2014
_chemical_formula_iupac          '[Ag2 Fe (C1 N1)4 (H2 O1)2], 2C12 H10 N2'
_chemical_formula_moiety         'C4 H4 Ag2 Fe N4 O2, 2(C12 H10 N2)'
_chemical_formula_sum            'C28 H24 Ag2 Fe N8 O2'
_chemical_formula_weight         776.14
_chemical_name_systematic
;
Poly[[diaquatetra-\m-cyanido-diargentate(I)iron(II)]
bis[<i>trans</i>-1,2-bis(pyridin-2-yl)ethylene]]
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_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                77.6670(10)
_cell_angle_beta                 77.5070(10)
_cell_angle_gamma                67.9000(10)
_cell_formula_units_Z            2
_cell_length_a                   9.2078(4)
_cell_length_b                   9.8558(5)
_cell_length_c                   18.9029(9)
_cell_measurement_temperature    293(2)
_cell_volume                     1535.11(13)
_computing_cell_refinement       'SMART (Bruker, 2007)'
_computing_data_collection       'SMART (Bruker, 2007)'
_computing_data_reduction        'SAINT (Bruker, 2007)'
_computing_molecular_graphics    'Mercury (Macrae <i>et al.</i>, 2008)'
_computing_publication_material  'publCIF (Westrip, 2010)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Bruker SMART CCD area-detector'
_diffrn_measurement_method       'phi and omega 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  0.0243
_diffrn_reflns_av_sigmaI/netI    0.0271
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            21143
_diffrn_reflns_theta_full        28.03
_diffrn_reflns_theta_max         28.03
_diffrn_reflns_theta_min         1.12
_exptl_absorpt_coefficient_mu    1.768
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.684
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Bruker, 2007)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.679
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             768
_exptl_crystal_size_max          0.43
_exptl_crystal_size_mid          0.11
_exptl_crystal_size_min          0.09
_refine_diff_density_max         0.321
_refine_diff_density_min         -0.374
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.027
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     389
_refine_ls_number_reflns         7389
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.027
_refine_ls_R_factor_all          0.0402
_refine_ls_R_factor_gt           0.0286
_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^)+(0.0324P)^2^+0.1941P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0672
_refine_ls_wR_factor_ref         0.0725
_reflns_number_gt                5865
_reflns_number_total             7389
_reflns_threshold_expression     I>2sigma(I)
_cod_data_source_file            vn2085sup1.cf
_cod_data_source_block           I
_cod_database_code               2239801
_cod_database_fobs_code          2239801