#------------------------------------------------------------------------------ #$Date: 2014-07-12 01:16:09 +0300 (Sat, 12 Jul 2014) $ #$Revision: 120081 $ #$URL: file:///home/coder/svn-repositories/cod/cif/4/30/86/4308659.cif $ #------------------------------------------------------------------------------ # # This file is available in the Crystallography Open Database (COD), # http://www.crystallography.net/ # # All data on this site have been placed in the public domain by the # contributors. # data_4308659 loop_ _publ_author_name 'Matthias Weil' 'Ekkehart Tillmanns' 'Dmitry Yu. Pushcharovsky' _publ_contact_author_address ; Institute for Chemical Technologies and Analytics Division of Structural Chemistry Vienna University of Technology Getreidemarkt 9/164-SC A-1060 Vienna Austria ; _publ_contact_author_email mweil@mail.zserv.tuwien.ac.at _publ_contact_author_fax '+43 1 58801 17199' _publ_contact_author_name ; Matthias Weil ; _publ_contact_author_phone '+43 1 58801 17122' _publ_section_title ; Hydrothermal Single-Crystal Growth in the Systems Ag/Hg/X/O (X = VV, AsV): Crystal Structures of (Ag3Hg)VO4, (Ag2Hg2)3(VO4)4, and (Ag2Hg2)2(HgO2)(AsO4)2 with the Unusual Tetrahedral Cluster Cations (Ag3Hg)3+ and (Ag2Hg2)4+ and Crystal Structure of AgHgVO4 ; _journal_name_full 'Inorganic Chemistry' _journal_page_first 1443 _journal_page_last 1451 _journal_volume 44 _journal_year 2005 _chemical_formula_structural 'Ag Hg (V O4)' _chemical_formula_sum 'Ag Hg O4 V' _chemical_formula_weight 423.40 _chemical_name_common 'Silver mercury vanadate' _chemical_name_systematic ; ? ; _space_group_IT_number 5 _symmetry_cell_setting monoclinic _symmetry_space_group_name_Hall 'C 2y' _symmetry_space_group_name_H-M 'C 1 2 1' _atom_sites_solution_hydrogens none _atom_sites_solution_primary direct _atom_sites_solution_secondary difmap _audit_creation_method SHELXL-97 _cell_angle_alpha 90.00 _cell_angle_beta 94.561(10) _cell_angle_gamma 90.00 _cell_formula_units_Z 4 _cell_length_a 9.9407(18) _cell_length_b 5.5730(8) _cell_length_c 7.1210(19) _cell_measurement_reflns_used 1276 _cell_measurement_temperature 293(2) _cell_measurement_theta_max 30.359 _cell_measurement_theta_min 4.098 _cell_volume 393.25(14) _computing_cell_refinement SAINT _computing_data_collection SMART _computing_data_reduction SAINT _computing_publication_material 'SHELXL-97 (Sheldrick, 1997)' _computing_structure_refinement 'SHELXL-97 (Sheldrick, 1997)' _computing_structure_solution 'SHELXS-97 (Sheldrick, 1990)' _diffrn_ambient_temperature 293(2) _diffrn_measured_fraction_theta_full 0.969 _diffrn_measured_fraction_theta_max 0.969 _diffrn_measurement_device_type 'Smart (Siemens)' _diffrn_measurement_method \w _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 0.0824 _diffrn_reflns_av_sigmaI/netI 0.0682 _diffrn_reflns_limit_h_max 13 _diffrn_reflns_limit_h_min -13 _diffrn_reflns_limit_k_max 7 _diffrn_reflns_limit_k_min -7 _diffrn_reflns_limit_l_max 9 _diffrn_reflns_limit_l_min -9 _diffrn_reflns_number 2202 _diffrn_reflns_theta_full 30.53 _diffrn_reflns_theta_max 30.53 _diffrn_reflns_theta_min 2.87 _diffrn_standards_decay_% 0 _exptl_absorpt_coefficient_mu 46.067 _exptl_absorpt_correction_T_max 0.2051 _exptl_absorpt_correction_T_min 0.0355 _exptl_absorpt_correction_type numerical _exptl_absorpt_process_details ; Habitus (Herrendorf, 1993-1997) ; _exptl_crystal_colour canary _exptl_crystal_density_diffrn 7.151 _exptl_crystal_density_method 'not measured' _exptl_crystal_description parallelepiped _exptl_crystal_F_000 728 _exptl_crystal_size_max 0.11 _exptl_crystal_size_mid 0.08 _exptl_crystal_size_min 0.05 _refine_diff_density_max 4.396 _refine_diff_density_min -2.640 _refine_diff_density_rms 0.594 _refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881' _refine_ls_abs_structure_Flack 0.57(4) _refine_ls_extinction_coef 0.0103(6) _refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^ _refine_ls_extinction_method SHELXL _refine_ls_goodness_of_fit_ref 1.019 _refine_ls_matrix_type full _refine_ls_number_parameters 48 _refine_ls_number_reflns 1129 _refine_ls_number_restraints 1 _refine_ls_restrained_S_all 1.019 _refine_ls_R_factor_all 0.0442 _refine_ls_R_factor_gt 0.0358 _refine_ls_shift/su_max 0.000 _refine_ls_shift/su_mean 0.000 _refine_ls_structure_factor_coef Fsqd _refine_ls_weighting_details 'w=1/[\s^2^(Fo^2^)+(0.0502P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3' _refine_ls_weighting_scheme calc _refine_ls_wR_factor_gt 0.0847 _refine_ls_wR_factor_ref 0.0888 _reflns_number_gt 959 _reflns_number_total 1129 _reflns_threshold_expression I>2\s(I) _[local]_cod_data_source_file ic0484912si20041027_114324_4.cif _[local]_cod_data_source_block aghgvo4 _[local]_cod_cif_authors_sg_H-M 'C 2' _cod_database_code 4308659 loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-x, y, -z' 'x+1/2, y+1/2, z' '-x+1/2, y+1/2, -z' loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv _atom_site_adp_type _atom_site_occupancy _atom_site_symmetry_multiplicity _atom_site_calc_flag _atom_site_refinement_flags _atom_site_disorder_assembly _atom_site_disorder_group Hg1 Hg 0.0000 0.0005(3) 0.5000 0.01537(19) Uani 1 2 d S . . Hg2 Hg 0.0000 -0.0001(3) 0.0000 0.01354(19) Uani 1 2 d S . . Ag Ag 0.13903(10) 0.4996(8) 0.75522(12) 0.0259(3) Uani 1 1 d . . . V V 0.18596(18) 0.4966(17) 0.2484(2) 0.0118(4) Uani 1 1 d . . . O1 O 0.1410(11) 0.200(2) 0.2315(14) 0.025(2) Uiso 1 1 d . . . O2 O 0.3675(9) 0.5548(17) 0.2620(11) 0.018(2) Uiso 1 1 d . . . O3 O 0.3755(12) 0.121(2) 0.5519(14) 0.032(2) Uiso 1 1 d . . . O4 O 0.6198(10) 0.153(2) 0.0510(14) 0.023(2) Uiso 1 1 d . . . loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_23 _atom_site_aniso_U_13 _atom_site_aniso_U_12 Hg1 0.0147(3) 0.0170(3) 0.0137(3) 0.000 -0.00345(17) 0.000 Hg2 0.0147(3) 0.0129(3) 0.0131(3) 0.000 0.00177(17) 0.000 Ag 0.0313(5) 0.0222(4) 0.0243(4) 0.0014(15) 0.0026(3) -0.003(3) V 0.0108(7) 0.0117(9) 0.0129(7) -0.001(3) 0.0002(5) -0.004(4) loop_ _atom_type_symbol _atom_type_description _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_source O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' V V 0.3005 0.5294 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' Ag Ag -0.8971 1.1015 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' Hg Hg -2.3894 9.2266 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' loop_ _geom_angle_atom_site_label_1 _geom_angle_atom_site_label_2 _geom_angle_atom_site_label_3 _geom_angle _geom_angle_site_symmetry_1 _geom_angle_site_symmetry_3 _geom_angle_publ_flag O2 Hg1 O2 163.3(5) 4_546 3_445 ? O2 Hg1 O3 107.0(4) 4_546 3_445 ? O2 Hg1 O3 87.4(4) 3_445 3_445 ? O2 Hg1 O3 87.4(4) 4_546 4_546 ? O2 Hg1 O3 107.0(4) 3_445 4_546 ? O3 Hg1 O3 63.9(5) 3_445 4_546 ? O2 Hg1 O1 72.2(3) 4_546 2_556 ? O2 Hg1 O1 100.7(3) 3_445 2_556 ? O3 Hg1 O1 87.3(3) 3_445 2_556 ? O3 Hg1 O1 138.3(4) 4_546 2_556 ? O2 Hg1 O1 100.7(3) 4_546 . ? O2 Hg1 O1 72.2(3) 3_445 . ? O3 Hg1 O1 138.3(4) 3_445 . ? O3 Hg1 O1 87.3(3) 4_546 . ? O1 Hg1 O1 131.3(5) 2_556 . ? O2 Hg1 V 154.7(2) 4_546 3_445 ? O2 Hg1 V 25.5(2) 3_445 3_445 ? O3 Hg1 V 68.6(3) 3_445 3_445 ? O3 Hg1 V 110.8(3) 4_546 3_445 ? O1 Hg1 V 82.7(3) 2_556 3_445 ? O1 Hg1 V 97.6(2) . 3_445 ? O2 Hg1 V 25.5(2) 4_546 4_546 ? O2 Hg1 V 154.7(2) 3_445 4_546 ? O3 Hg1 V 110.8(3) 3_445 4_546 ? O3 Hg1 V 68.6(3) 4_546 4_546 ? O1 Hg1 V 97.6(2) 2_556 4_546 ? O1 Hg1 V 82.7(3) . 4_546 ? V Hg1 V 179.3(3) 3_445 4_546 ? O4 Hg2 O4 64.4(5) 4_545 3_445 ? O4 Hg2 O1 141.7(4) 4_545 . ? O4 Hg2 O1 90.9(4) 3_445 . ? O4 Hg2 O1 90.9(4) 4_545 2 ? O4 Hg2 O1 141.7(4) 3_445 2 ? O1 Hg2 O1 123.5(6) . 2 ? O4 Hg2 O2 85.4(3) 4_545 3_445 ? O4 Hg2 O2 107.3(3) 3_445 3_445 ? O1 Hg2 O2 74.2(3) . 3_445 ? O1 Hg2 O2 98.7(3) 2 3_445 ? O4 Hg2 O2 107.3(3) 4_545 4_545 ? O4 Hg2 O2 85.4(3) 3_445 4_545 ? O1 Hg2 O2 98.7(3) . 4_545 ? O1 Hg2 O2 74.2(3) 2 4_545 ? O2 Hg2 O2 165.3(5) 3_445 4_545 ? O4 Hg2 Hg1 96.8(2) 4_545 . ? O4 Hg2 Hg1 83.3(2) 3_445 . ? O1 Hg2 Hg1 49.3(2) . . ? O1 Hg2 Hg1 130.7(2) 2 . ? O2 Hg2 Hg1 34.4(2) 3_445 . ? O2 Hg2 Hg1 145.6(2) 4_545 . ? O4 Hg2 Hg1 83.3(2) 4_545 1_554 ? O4 Hg2 Hg1 96.8(2) 3_445 1_554 ? O1 Hg2 Hg1 130.7(2) . 1_554 ? O1 Hg2 Hg1 49.3(2) 2 1_554 ? O2 Hg2 Hg1 145.6(2) 3_445 1_554 ? O2 Hg2 Hg1 34.4(2) 4_545 1_554 ? Hg1 Hg2 Hg1 179.90(6) . 1_554 ? O3 Ag O4 140.0(5) 4_556 3_456 ? O3 Ag O1 83.7(4) 4_556 4_556 ? O4 Ag O1 86.2(4) 3_456 4_556 ? O3 Ag O2 104.4(4) 4_556 4_546 ? O4 Ag O2 114.4(3) 3_456 4_546 ? O1 Ag O2 118.5(3) 4_556 4_546 ? O3 Ag O3 58.6(4) 4_556 3_455 ? O4 Ag O3 103.2(3) 3_456 3_455 ? O1 Ag O3 131.7(4) 4_556 3_455 ? O2 Ag O3 100.6(3) 4_546 3_455 ? O3 Ag O2 70.6(4) 4_556 4_556 ? O4 Ag O2 70.2(3) 3_456 4_556 ? O1 Ag O2 64.0(3) 4_556 4_556 ? O2 Ag O2 174.4(4) 4_546 4_556 ? O3 Ag O2 74.9(3) 3_455 4_556 ? O3 Ag O4 110.5(3) 4_556 4_556 ? O4 Ag O4 50.4(4) 3_456 4_556 ? O1 Ag O4 128.3(3) 4_556 4_556 ? O2 Ag O4 106.0(3) 4_546 4_556 ? O3 Ag O4 55.2(3) 3_455 4_556 ? O2 Ag O4 74.3(3) 4_556 4_556 ? O3 Ag V 90.4(3) 4_556 2_556 ? O4 Ag V 81.5(3) 3_456 2_556 ? O1 Ag V 153.1(2) 4_556 2_556 ? O2 Ag V 88.4(3) 4_546 2_556 ? O3 Ag V 32.2(2) 3_455 2_556 ? O2 Ag V 89.3(2) 4_556 2_556 ? O4 Ag V 31.7(2) 4_556 2_556 ? O1 V O3 109.5(6) . 4_556 ? O1 V O4 110.3(6) . 3_455 ? O3 V O4 109.1(8) 4_556 3_455 ? O1 V O2 115.2(7) . . ? O3 V O2 107.2(6) 4_556 . ? O4 V O2 105.2(6) 3_455 . ? O1 V Ag 75.4(4) . 2_556 ? O3 V Ag 65.6(4) 4_556 2_556 ? O4 V Ag 71.1(3) 3_455 2_556 ? O2 V Ag 169.2(6) . 2_556 ? O1 V Ag 47.1(4) . 4_546 ? O3 V Ag 124.4(5) 4_556 4_546 ? O4 V Ag 125.8(4) 3_455 4_546 ? O2 V Ag 68.1(4) . 4_546 ? Ag V Ag 122.4(2) 2_556 4_546 ? O1 V Ag 162.4(4) . 4_556 ? O3 V Ag 83.6(6) 4_556 4_556 ? O4 V Ag 74.6(5) 3_455 4_556 ? O2 V Ag 48.0(4) . 4_556 ? Ag V Ag 121.6(2) 2_556 4_556 ? Ag V Ag 115.98(6) 4_546 4_556 ? O1 V Hg1 105.1(5) . 3 ? O3 V Hg1 86.3(4) 4_556 3 ? O4 V Hg1 132.9(5) 3_455 3 ? O2 V Hg1 29.4(3) . 3 ? Ag V Hg1 149.50(6) 2_556 3 ? Ag V Hg1 63.43(11) 4_546 3 ? Ag V Hg1 63.00(11) 4_556 3 ? O1 V Ag 85.5(4) . 1_554 ? O3 V Ag 142.3(5) 4_556 1_554 ? O4 V Ag 34.5(4) 3_455 1_554 ? O2 V Ag 96.0(3) . 1_554 ? Ag V Ag 86.48(5) 2_556 1_554 ? Ag V Ag 91.42(12) 4_546 1_554 ? Ag V Ag 90.95(13) 4_556 1_554 ? Hg1 V Ag 124.01(5) 3 1_554 ? O1 V Ag 91.2(4) . . ? O3 V Ag 27.5(4) 4_556 . ? O4 V Ag 136.2(5) 3_455 . ? O2 V Ag 98.6(3) . . ? Ag V Ag 78.62(5) 2_556 . ? Ag V Ag 96.92(14) 4_546 . ? Ag V Ag 96.42(14) 4_556 . ? Hg1 V Ag 70.88(4) 3 . ? Ag V Ag 165.10(7) 1_554 . ? O1 V Hg2 29.2(4) . . ? O3 V Hg2 119.6(5) 4_556 . ? O4 V Hg2 81.1(4) 3_455 . ? O2 V Hg2 127.7(5) . . ? Ag V Hg2 62.51(9) 2_556 . ? Ag V Hg2 66.96(16) 4_546 . ? Ag V Hg2 151.10(9) 4_556 . ? Hg1 V Hg2 130.2(3) 3 . ? Ag V Hg2 60.20(8) 1_554 . ? Ag V Hg2 112.03(16) . . ? O1 V Hg2 101.3(4) . 3 ? O3 V Hg2 138.9(5) 4_556 3 ? O4 V Hg2 83.7(3) 3_455 3 ? O2 V Hg2 32.8(3) . 3 ? Ag V Hg2 151.16(6) 2_556 3 ? Ag V Hg2 62.11(10) 4_546 3 ? Ag V Hg2 61.82(10) 4_556 3 ? Hg1 V Hg2 59.33(3) 3 3 ? Ag V Hg2 64.68(4) 1_554 3 ? Ag V Hg2 130.21(5) . 3 ? Hg2 V Hg2 100.56(14) . 3 ? V O1 Hg2 130.0(6) . . ? V O1 Ag 102.1(5) . 4_546 ? Hg2 O1 Ag 106.8(4) . 4_546 ? V O1 Hg1 119.7(5) . . ? Hg2 O1 Hg1 89.2(4) . . ? Ag O1 Hg1 107.2(4) 4_546 . ? V O1 Ag 73.9(4) . 2_556 ? Hg2 O1 Ag 78.5(3) . 2_556 ? Ag O1 Ag 174.7(4) 4_546 2_556 ? Hg1 O1 Ag 72.4(2) . 2_556 ? V O1 Ag 67.7(3) . 1_554 ? Hg2 O1 Ag 67.7(3) . 1_554 ? Ag O1 Ag 100.2(3) 4_546 1_554 ? Hg1 O1 Ag 148.4(4) . 1_554 ? Ag O1 Ag 81.7(2) 2_556 1_554 ? V O1 Ag 64.1(3) . . ? Hg2 O1 Ag 141.8(4) . . ? Ag O1 Ag 102.7(3) 4_546 . ? Hg1 O1 Ag 58.8(2) . . ? Ag O1 Ag 72.4(2) 2_556 . ? Ag O1 Ag 129.7(3) 1_554 . ? V O2 Hg1 125.1(4) . 3 ? V O2 Hg2 122.6(4) . 3 ? Hg1 O2 Hg2 105.3(4) 3 3 ? V O2 Ag 98.8(5) . 4_556 ? Hg1 O2 Ag 101.4(4) 3 4_556 ? Hg2 O2 Ag 95.9(3) 3 4_556 ? V O2 Ag 78.7(5) . 4_546 ? Hg1 O2 Ag 84.1(3) 3 4_546 ? Hg2 O2 Ag 81.5(3) 3 4_546 ? Ag O2 Ag 174.4(4) 4_556 4_546 ? V O2 Ag 57.8(2) . 1_554 ? Hg1 O2 Ag 166.0(4) 3 1_554 ? Hg2 O2 Ag 66.79(19) 3 1_554 ? Ag O2 Ag 91.2(2) 4_556 1_554 ? Ag O2 Ag 83.2(2) 4_546 1_554 ? V O3 Ag 131.9(8) 4_546 4_546 ? V O3 Hg1 132.1(7) 4_546 3 ? Ag O3 Hg1 95.9(4) 4_546 3 ? V O3 Ag 82.2(4) 4_546 3_545 ? Ag O3 Ag 112.7(4) 4_546 3_545 ? Hg1 O3 Ag 80.6(3) 3 3_545 ? V O3 Ag 67.4(5) 4_546 . ? Ag O3 Ag 124.9(4) 4_546 . ? Hg1 O3 Ag 84.7(3) 3 . ? Ag O3 Ag 121.5(3) 3_545 . ? V O3 Hg1 81.5(6) 4_546 3_545 ? Ag O3 Hg1 67.9(3) 4_546 3_545 ? Hg1 O3 Hg1 127.2(4) 3 3_545 ? Ag O3 Hg1 63.1(2) 3_545 3_545 ? Ag O3 Hg1 146.4(4) . 3_545 ? V O3 Hg1 66.4(4) 4_546 . ? Ag O3 Hg1 82.4(3) 4_546 . ? Hg1 O3 Hg1 129.3(4) 3 . ? Ag O3 Hg1 146.5(4) 3_545 . ? Ag O3 Hg1 57.66(18) . . ? Hg1 O3 Hg1 99.2(3) 3_545 . ? V O3 Hg2 70.0(4) 4_546 3_556 ? Ag O3 Hg2 157.8(5) 4_546 3_556 ? Hg1 O3 Hg2 62.5(2) 3 3_556 ? Ag O3 Hg2 61.3(2) 3_545 3_556 ? Ag O3 Hg2 61.76(18) . 3_556 ? Hg1 O3 Hg2 119.7(3) 3_545 3_556 ? Hg1 O3 Hg2 114.7(3) . 3_556 ? V O4 Hg2 135.4(6) 3_545 3 ? V O4 Ag 120.1(7) 3_545 3_544 ? Hg2 O4 Ag 104.5(4) 3 3_544 ? V O4 Ag 77.2(4) 3_545 4_546 ? Hg2 O4 Ag 82.3(3) 3 4_546 ? Ag O4 Ag 115.7(4) 3_544 4_546 ? V O4 Ag 74.9(4) 3_545 2_656 ? Hg2 O4 Ag 85.6(3) 3 2_656 ? Ag O4 Ag 119.4(4) 3_544 2_656 ? Ag O4 Ag 124.8(3) 4_546 2_656 ? V O4 Hg2 72.3(5) 3_545 3_545 ? Hg2 O4 Hg2 129.3(4) 3 3_545 ? Ag O4 Hg2 66.9(3) 3_544 3_545 ? Ag O4 Hg2 61.54(19) 4_546 3_545 ? Ag O4 Hg2 143.7(3) 2_656 3_545 ? V O4 Hg2 70.1(3) 3_545 1_655 ? Hg2 O4 Hg2 131.6(4) 3 1_655 ? Ag O4 Hg2 71.5(2) 3_544 1_655 ? Ag O4 Hg2 144.4(3) 4_546 1_655 ? Ag O4 Hg2 59.43(17) 2_656 1_655 ? Hg2 O4 Hg2 94.5(2) 3_545 1_655 ? V O4 Hg1 73.4(4) 3_545 3 ? Hg2 O4 Hg1 62.1(2) 3 3 ? Ag O4 Hg1 165.0(4) 3_544 3 ? Ag O4 Hg1 58.20(17) 4_546 3 ? Ag O4 Hg1 68.55(19) 2_656 3 ? Hg2 O4 Hg1 115.2(2) 3_545 3 ? Hg2 O4 Hg1 122.0(3) 1_655 3 ? loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_distance _geom_bond_site_symmetry_2 _geom_bond_publ_flag Hg1 O2 2.084(9) 4_546 ? Hg1 O2 2.084(9) 3_445 ? Hg1 O3 2.494(13) 3_445 ? Hg1 O3 2.494(13) 4_546 ? Hg1 O1 2.699(10) 2_556 ? Hg1 O1 2.699(10) . ? Hg1 V 3.4738(18) 3_445 ? Hg1 V 3.4738(18) 4_546 ? Hg2 O4 2.285(11) 4_545 ? Hg2 O4 2.285(11) 3_445 ? Hg2 O1 2.358(11) . ? Hg2 O1 2.358(11) 2 ? Hg2 O2 2.388(8) 3_445 ? Hg2 O2 2.388(8) 4_545 ? Hg2 Hg1 3.5605(9) 1_554 ? Ag O3 2.282(10) 4_556 ? Ag O4 2.295(10) 3_456 ? Ag O1 2.452(11) 4_556 ? Ag O2 2.482(10) 4_546 ? Ag O3 2.968(12) 3_455 ? Ag O2 3.097(10) 4_556 ? Ag O4 3.133(10) 4_556 ? Ag V 3.229(2) 2_556 ? V O1 1.713(17) . ? V O3 1.736(12) 4_556 ? V O4 1.738(12) 3_455 ? V O2 1.828(9) . ? V Ag 3.229(2) 2_556 ? V Ag 3.272(7) 4_546 ? V Ag 3.300(8) 4_556 ? V Hg1 3.4738(18) 3 ? V Ag 3.5056(19) 1_554 ? V Hg2 3.7083(18) 3 ? O1 Ag 2.452(11) 4_546 ? O1 Ag 3.253(11) 2_556 ? O1 Ag 3.778(10) 1_554 ? O2 Hg1 2.084(9) 3 ? O2 Hg2 2.388(8) 3 ? O2 Ag 2.482(10) 4_556 ? O2 Ag 3.097(10) 4_546 ? O2 Ag 4.120(9) 1_554 ? O3 V 1.736(12) 4_546 ? O3 Ag 2.282(10) 4_546 ? O3 Hg1 2.494(13) 3 ? O3 Ag 2.968(12) 3_545 ? O3 Hg1 3.699(13) 3_545 ? O3 Hg2 3.944(11) 3_556 ? O4 V 1.738(12) 3_545 ? O4 Hg2 2.285(11) 3 ? O4 Ag 2.295(10) 3_544 ? O4 Ag 3.133(10) 4_546 ? O4 Ag 3.295(11) 2_656 ? O4 Hg2 3.837(11) 3_545 ? O4 Hg2 3.920(10) 1_655 ? O4 Hg1 4.000(10) 3 ? _journal_paper_doi 10.1021/ic0484912