#------------------------------------------------------------------------------ #$Date: 2013-08-29 16:37:19 +0100 (Thu, 29 Aug 2013) $ #$Revision: 88064 $ #$URL: svn://www.crystallography.net/cod/cif/2/20/22/2202284.cif $ #------------------------------------------------------------------------------ # # This file is available in the Crystallography Open Database (COD), # http://www.crystallography.net/. The original data for this entry # were provided by IUCr Journals, http://journals.iucr.org/. # # The file may be used within the scientific community so long as # proper attribution is given to the journal article from which the # data were obtained. # data_2202284 loop_ _publ_author_name 'Smith, Michele L.' 'Almond, Philip M.' 'Albrecht-Schmitt, Thomas E.' 'Hill, William E.' _publ_section_title ; Bis[\m-1,3-bis(diphenylphosphino)propane]disilver(I) bis(tetrafluoroborate) ; _journal_issue 11 _journal_name_full 'Acta Crystallographica Section E' _journal_page_first m1013 _journal_page_last m1014 _journal_volume 59 _journal_year 2003 _chemical_formula_iupac '[Ag2 (C27 H26 P2)2] (B F4)2' _chemical_formula_moiety 'C54 H52 Ag2 P4 2+, 2B F4 1-' _chemical_formula_sum 'C54 H52 Ag2 B2 F8 P4' _chemical_formula_weight 1214.20 _chemical_name_common 'Bis[\m-1,3-bis(diphenylphosphino)propane]disilver bis(tetrafluoroborate)' _chemical_name_systematic ; Bis[\m-1,3-bis(diphenylphosphino)propane]disilver bis(tetrafluoroborate) ; _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 _cell_angle_alpha 90.908(2) _cell_angle_beta 114.075(2) _cell_angle_gamma 112.741(2) _cell_formula_units_Z 1 _cell_length_a 10.6882(7) _cell_length_b 11.3911(7) _cell_length_c 12.9037(8) _cell_measurement_reflns_used 9950 _cell_measurement_temperature 193(2) _cell_measurement_theta_max 28.305 _cell_measurement_theta_min 2.308 _cell_volume 1294.46(15) _computing_cell_refinement 'SMART and SAINT-Plus (Bruker, 1999)' _computing_data_collection 'SMART (Bruker, 2000)' _computing_data_reduction SAINT-Plus _computing_molecular_graphics 'SHELXP97 in SHELXTL97' _computing_publication_material 'XCIF in SHELXTL97' _computing_structure_refinement 'SHELXL97 in SHELXTL97' _computing_structure_solution 'SHELXS97 in SHELXTL97 (Sheldrick, 1997)' _diffrn_ambient_temperature 193(2) _diffrn_measured_fraction_theta_full 0.991 _diffrn_measured_fraction_theta_max 0.991 _diffrn_measurement_device_type 'Bruker APEX' _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 0.0203 _diffrn_reflns_av_sigmaI/netI 0.0312 _diffrn_reflns_limit_h_max 14 _diffrn_reflns_limit_h_min -14 _diffrn_reflns_limit_k_max 15 _diffrn_reflns_limit_k_min -15 _diffrn_reflns_limit_l_max 17 _diffrn_reflns_limit_l_min -17 _diffrn_reflns_number 13475 _diffrn_reflns_theta_full 28.31 _diffrn_reflns_theta_max 28.31 _diffrn_reflns_theta_min 1.77 _diffrn_standards_decay_% <1 _diffrn_standards_number 0 _exptl_absorpt_coefficient_mu 0.945 _exptl_absorpt_correction_T_max 0.8774 _exptl_absorpt_correction_T_min 0.7117 _exptl_absorpt_correction_type analytical _exptl_absorpt_process_details '(XPREP in SHELXTL97; Sheldrick, 1997)' _exptl_crystal_colour colorless _exptl_crystal_density_diffrn 1.558 _exptl_crystal_density_meas nm _exptl_crystal_density_method 'not measured' _exptl_crystal_description prism _exptl_crystal_F_000 612 _exptl_crystal_size_max 0.39 _exptl_crystal_size_mid 0.19 _exptl_crystal_size_min 0.14 _refine_diff_density_max 1.612 _refine_diff_density_min -1.047 _refine_ls_extinction_coef 0 _refine_ls_extinction_method none _refine_ls_goodness_of_fit_ref 1.055 _refine_ls_hydrogen_treatment constr _refine_ls_matrix_type full _refine_ls_number_parameters 340 _refine_ls_number_reflns 6396 _refine_ls_number_restraints 0 _refine_ls_restrained_S_all 1.055 _refine_ls_R_factor_all 0.0437 _refine_ls_R_factor_gt 0.0403 _refine_ls_shift/su_max 0.028 _refine_ls_shift/su_mean 0.002 _refine_ls_structure_factor_coef Fsqd _refine_ls_weighting_details 'calc w = 1/[\s^2^(Fo^2^)+(0.0747P)^2^+1.0875P] where P = (Fo^2^+2Fc^2^)/3' _refine_ls_weighting_scheme calc _refine_ls_wR_factor_gt 0.1154 _refine_ls_wR_factor_ref 0.1187 _reflns_number_gt 5813 _reflns_number_total 6396 _reflns_threshold_expression I>2\s(I) _[local]_cod_data_source_file ac6065.cif _[local]_cod_data_source_block I _cod_original_cell_volume 1294.46(14) _cod_database_code 2202284 loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-x, -y, -z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv _atom_site_adp_type _atom_site_calc_flag _atom_site_refinement_flags _atom_site_occupancy _atom_site_disorder_assembly _atom_site_disorder_group _atom_site_type_symbol Ag1 0.10140(2) 0.114748(19) 0.200649(17) 0.03275(9) Uani d . 1 . . Ag P1 0.35391(7) 0.23940(6) 0.22321(6) 0.02631(14) Uani d . 1 . . P P2 -0.13909(7) 0.06654(7) 0.19735(6) 0.02743(14) Uani d . 1 . . P C1 0.5034(3) 0.2790(3) 0.3706(2) 0.0304(5) Uani d . 1 . . C C2 0.5758(4) 0.4029(3) 0.4400(3) 0.0407(6) Uani d . 1 . . C H2A 0.5504 0.4704 0.4097 0.049 Uiso calc R 1 . . H C3 0.6854(4) 0.4274(4) 0.5538(3) 0.0512(8) Uani d . 1 . . C H3A 0.7343 0.5118 0.6011 0.061 Uiso calc R 1 . . H C4 0.7238(4) 0.3297(4) 0.5988(3) 0.0521(9) Uani d . 1 . . C H4A 0.7991 0.3473 0.6765 0.063 Uiso calc R 1 . . H C5 0.6525(4) 0.2071(4) 0.5305(3) 0.0472(8) Uani d . 1 . . C H5A 0.6797 0.1404 0.5610 0.057 Uiso calc R 1 . . H C6 0.5406(3) 0.1802(3) 0.4168(3) 0.0377(6) Uani d . 1 . . C H6A 0.4897 0.0948 0.3709 0.045 Uiso calc R 1 . . H C7 0.3804(3) 0.3931(3) 0.1779(2) 0.0324(5) Uani d . 1 . . C C8 0.2674(4) 0.4355(3) 0.1511(3) 0.0454(7) Uani d . 1 . . C H8A 0.1766 0.3835 0.1559 0.054 Uiso calc R 1 . . H C9 0.2872(6) 0.5543(4) 0.1171(4) 0.0639(11) Uani d . 1 . . C H9A 0.2110 0.5844 0.1006 0.077 Uiso calc R 1 . . H C10 0.4169(6) 0.6277(4) 0.1076(4) 0.0678(13) Uani d . 1 . . C H10A 0.4295 0.7081 0.0834 0.081 Uiso calc R 1 . . H C11 0.5286(5) 0.5860(4) 0.1327(4) 0.0683(12) Uani d . 1 . . C H11A 0.6181 0.6376 0.1260 0.082 Uiso calc R 1 . . H C12 0.5111(4) 0.4687(3) 0.1680(3) 0.0500(8) Uani d . 1 . . C H12A 0.5886 0.4400 0.1853 0.060 Uiso calc R 1 . . H C13 -0.1947(3) -0.0395(3) 0.2889(3) 0.0368(6) Uani d . 1 . . C C14 -0.1077(4) -0.1018(3) 0.3478(3) 0.0517(8) Uani d . 1 . . C H14A -0.0176 -0.0882 0.3419 0.062 Uiso calc R 1 . . H C15 -0.1547(7) -0.1865(4) 0.4174(4) 0.0820(17) Uani d . 1 . . C H15A -0.0969 -0.2312 0.4579 0.098 Uiso calc R 1 . . H C16 -0.2852(8) -0.2036(5) 0.4259(5) 0.095(2) Uani d . 1 . . C H16A -0.3156 -0.2589 0.4739 0.114 Uiso calc R 1 . . H C17 -0.3712(7) -0.1419(5) 0.3659(5) 0.0861(19) Uani d . 1 . . C H17A -0.4606 -0.1547 0.3727 0.103 Uiso calc R 1 . . H C18 -0.3295(5) -0.0619(4) 0.2963(4) 0.0584(10) Uani d . 1 . . C H18A -0.3915 -0.0217 0.2530 0.070 Uiso calc R 1 . . H C19 -0.1423(3) 0.2192(3) 0.2368(2) 0.0309(5) Uani d . 1 . . C C20 -0.1473(3) 0.2540(3) 0.3382(3) 0.0367(6) Uani d . 1 . . C H20A -0.1588 0.1936 0.3874 0.044 Uiso calc R 1 . . H C21 -0.1356(4) 0.3776(3) 0.3680(3) 0.0444(7) Uani d . 1 . . C H21A -0.1392 0.4012 0.4373 0.053 Uiso calc R 1 . . H C22 -0.1187(4) 0.4651(3) 0.2971(3) 0.0483(8) Uani d . 1 . . C H22A -0.1089 0.5496 0.3185 0.058 Uiso calc R 1 . . H C23 -0.1159(4) 0.4313(3) 0.1951(3) 0.0465(7) Uani d . 1 . . C H23A -0.1059 0.4916 0.1457 0.056 Uiso calc R 1 . . H C24 -0.1276(4) 0.3086(3) 0.1652(3) 0.0391(6) Uani d . 1 . . C H24A -0.1256 0.2853 0.0951 0.047 Uiso calc R 1 . . H C25 0.4083(3) 0.1555(3) 0.1389(2) 0.0309(5) Uani d . 1 . . C H25A 0.5109 0.2132 0.1485 0.037 Uiso calc R 1 . . H H25B 0.4120 0.0766 0.1684 0.037 Uiso calc R 1 . . H C26 0.2950(3) 0.1168(3) 0.0099(2) 0.0309(5) Uani d . 1 . . C H26A 0.1913 0.0910 0.0020 0.037 Uiso calc R 1 . . H H26B 0.3197 0.1927 -0.0269 0.037 Uiso calc R 1 . . H C27 0.2992(3) 0.0044(3) -0.0522(2) 0.0332(5) Uani d . 1 . . C H27A 0.2971 -0.0638 -0.0055 0.040 Uiso calc R 1 . . H H27B 0.3954 0.0360 -0.0588 0.040 Uiso calc R 1 . . H B1 0.1140(6) -0.1745(4) 0.1470(4) 0.0499(9) Uani d . 1 . . B F1 0.1749(5) -0.0923(4) 0.2478(3) 0.1059(13) Uani d . 1 . . F F2 0.0530(3) -0.1148(2) 0.0584(2) 0.0587(6) Uani d . 1 . . F F3 0.0292(7) -0.2880(4) 0.1389(6) 0.252(5) Uani d . 1 . . F F4 0.2450(7) -0.1726(6) 0.1475(5) 0.166(2) Uani d . 1 . . F loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_12 _atom_site_aniso_U_13 _atom_site_aniso_U_23 Ag1 0.02508(12) 0.03744(13) 0.03715(13) 0.01324(9) 0.01552(9) 0.00562(9) P1 0.0229(3) 0.0288(3) 0.0267(3) 0.0117(2) 0.0102(2) 0.0037(2) P2 0.0249(3) 0.0317(3) 0.0278(3) 0.0128(2) 0.0133(2) 0.0031(2) C1 0.0254(11) 0.0394(14) 0.0261(11) 0.0133(10) 0.0120(10) 0.0040(10) C2 0.0372(15) 0.0458(16) 0.0343(14) 0.0173(13) 0.0127(12) -0.0009(12) C3 0.0431(17) 0.063(2) 0.0314(15) 0.0133(16) 0.0119(13) -0.0060(14) C4 0.0342(15) 0.080(3) 0.0284(14) 0.0156(16) 0.0104(12) 0.0119(15) C5 0.0389(16) 0.068(2) 0.0381(16) 0.0249(16) 0.0180(13) 0.0232(15) C6 0.0340(14) 0.0455(16) 0.0332(14) 0.0160(12) 0.0158(12) 0.0117(12) C7 0.0357(13) 0.0291(12) 0.0279(12) 0.0139(11) 0.0103(10) 0.0033(10) C8 0.0535(19) 0.0465(17) 0.0433(16) 0.0314(15) 0.0189(15) 0.0099(13) C9 0.088(3) 0.053(2) 0.057(2) 0.050(2) 0.020(2) 0.0163(17) C10 0.096(3) 0.0326(16) 0.051(2) 0.0238(19) 0.014(2) 0.0129(15) C11 0.067(3) 0.0404(19) 0.068(3) 0.0040(18) 0.022(2) 0.0210(18) C12 0.0435(17) 0.0409(16) 0.058(2) 0.0130(14) 0.0208(16) 0.0174(15) C13 0.0397(15) 0.0320(13) 0.0349(14) 0.0072(11) 0.0212(12) 0.0008(11) C14 0.053(2) 0.0430(17) 0.0373(16) 0.0126(15) 0.0086(14) 0.0087(13) C15 0.109(4) 0.050(2) 0.042(2) 0.014(2) 0.012(2) 0.0122(17) C16 0.130(5) 0.060(3) 0.066(3) -0.011(3) 0.067(3) 0.003(2) C17 0.112(4) 0.058(3) 0.104(4) 0.008(3) 0.090(4) 0.007(3) C18 0.060(2) 0.0462(18) 0.075(3) 0.0088(16) 0.049(2) 0.0008(17) C19 0.0242(11) 0.0321(12) 0.0339(13) 0.0112(10) 0.0118(10) -0.0007(10) C20 0.0310(13) 0.0391(14) 0.0379(14) 0.0114(11) 0.0173(11) -0.0015(11) C21 0.0338(14) 0.0419(16) 0.0499(18) 0.0104(12) 0.0184(13) -0.0130(13) C22 0.0347(15) 0.0367(15) 0.061(2) 0.0134(12) 0.0127(14) -0.0094(14) C23 0.0443(17) 0.0346(15) 0.0516(18) 0.0174(13) 0.0131(15) 0.0042(13) C24 0.0399(15) 0.0359(14) 0.0381(15) 0.0157(12) 0.0151(12) 0.0035(11) C25 0.0259(12) 0.0353(13) 0.0298(12) 0.0149(10) 0.0097(10) 0.0013(10) C26 0.0334(13) 0.0309(12) 0.0283(12) 0.0157(10) 0.0122(10) 0.0032(10) C27 0.0292(12) 0.0395(14) 0.0304(12) 0.0186(11) 0.0096(10) -0.0016(10) B1 0.074(3) 0.0365(17) 0.048(2) 0.0315(18) 0.0277(19) 0.0182(15) F1 0.168(4) 0.101(2) 0.0592(17) 0.089(3) 0.030(2) 0.0238(16) F2 0.0620(13) 0.0576(12) 0.0557(12) 0.0302(11) 0.0210(10) 0.0273(10) F3 0.183(5) 0.084(3) 0.214(6) -0.047(3) -0.064(4) 0.092(3) F4 0.243(6) 0.239(6) 0.205(5) 0.215(6) 0.162(5) 0.159(5) loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_site_symmetry_2 _geom_bond_distance _geom_bond_publ_flag Ag1 P2 . 2.3935(7) yes Ag1 P1 . 2.4016(7) yes P1 C7 . 1.809(3) no P1 C1 . 1.820(3) no P1 C25 . 1.829(3) no P2 C13 . 1.809(3) no P2 C19 . 1.821(3) no P2 C27 2 1.832(3) no C1 C2 . 1.394(4) no C1 C6 . 1.397(4) no C2 C3 . 1.392(4) no C2 H2A . 0.9500 no C3 C4 . 1.387(6) no C3 H3A . 0.9500 no C4 C5 . 1.378(6) no C4 H4A . 0.9500 no C5 C6 . 1.396(4) no C5 H5A . 0.9500 no C6 H6A . 0.9500 no C7 C12 . 1.389(5) no C7 C8 . 1.389(4) no C8 C9 . 1.393(5) no C8 H8A . 0.9500 no C9 C10 . 1.372(7) no C9 H9A . 0.9500 no C10 C11 . 1.373(7) no C10 H10A . 0.9500 no C11 C12 . 1.386(5) no C11 H11A . 0.9500 no C12 H12A . 0.9500 no C13 C14 . 1.377(5) no C13 C18 . 1.406(5) no C14 C15 . 1.418(6) no C14 H14A . 0.9500 no C15 C16 . 1.382(9) no C15 H15A . 0.9500 no C16 C17 . 1.370(10) no C16 H16A . 0.9500 no C17 C18 . 1.369(6) no C17 H17A . 0.9500 no C18 H18A . 0.9500 no C19 C20 . 1.389(4) no C19 C24 . 1.393(4) no C20 C21 . 1.398(4) no C20 H20A . 0.9500 no C21 C22 . 1.373(5) no C21 H21A . 0.9500 no C22 C23 . 1.382(5) no C22 H22A . 0.9500 no C23 C24 . 1.387(4) no C23 H23A . 0.9500 no C24 H24A . 0.9500 no C25 C26 . 1.533(4) no C25 H25A . 0.9900 no C25 H25B . 0.9900 no C26 C27 . 1.526(4) no C26 H26A . 0.9900 no C26 H26B . 0.9900 no C27 P2 2 1.832(3) no C27 H27A . 0.9900 no C27 H27B . 0.9900 no B1 F3 . 1.231(5) no B1 F1 . 1.339(5) no B1 F4 . 1.389(7) no B1 F2 . 1.397(4) no loop_ _atom_type_symbol _atom_type_description _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_source C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' B B 0.0013 0.0007 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' P P 0.1023 0.0942 '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' loop_ _geom_angle_atom_site_label_1 _geom_angle_atom_site_label_2 _geom_angle_atom_site_label_3 _geom_angle_site_symmetry_1 _geom_angle_site_symmetry_3 _geom_angle _geom_angle_publ_flag P2 Ag1 P1 . . 159.66(3) yes C7 P1 C1 . . 105.66(13) no C7 P1 C25 . . 105.34(13) no C1 P1 C25 . . 103.68(12) no C7 P1 Ag1 . . 113.23(10) no C1 P1 Ag1 . . 114.76(9) no C25 P1 Ag1 . . 113.20(9) no C13 P2 C19 . . 107.23(13) no C13 P2 C27 . 2 104.94(14) no C19 P2 C27 . 2 103.39(12) no C13 P2 Ag1 . . 118.32(11) no C19 P2 Ag1 . . 108.34(9) no C27 P2 Ag1 2 . 113.47(9) no C2 C1 C6 . . 119.4(3) no C2 C1 P1 . . 121.8(2) no C6 C1 P1 . . 118.7(2) no C3 C2 C1 . . 119.8(3) no C3 C2 H2A . . 120.1 no C1 C2 H2A . . 120.1 no C4 C3 C2 . . 120.6(3) no C4 C3 H3A . . 119.7 no C2 C3 H3A . . 119.7 no C5 C4 C3 . . 119.8(3) no C5 C4 H4A . . 120.1 no C3 C4 H4A . . 120.1 no C4 C5 C6 . . 120.4(3) no C4 C5 H5A . . 119.8 no C6 C5 H5A . . 119.8 no C5 C6 C1 . . 119.9(3) no C5 C6 H6A . . 120.0 no C1 C6 H6A . . 120.0 no C12 C7 C8 . . 119.4(3) no C12 C7 P1 . . 121.1(2) no C8 C7 P1 . . 119.5(2) no C7 C8 C9 . . 120.0(4) no C7 C8 H8A . . 120.0 no C9 C8 H8A . . 120.0 no C10 C9 C8 . . 119.9(4) no C10 C9 H9A . . 120.1 no C8 C9 H9A . . 120.1 no C9 C10 C11 . . 120.6(3) no C9 C10 H10A . . 119.7 no C11 C10 H10A . . 119.7 no C10 C11 C12 . . 120.1(4) no C10 C11 H11A . . 119.9 no C12 C11 H11A . . 119.9 no C11 C12 C7 . . 120.1(4) no C11 C12 H12A . . 120.0 no C7 C12 H12A . . 120.0 no C14 C13 C18 . . 120.2(3) no C14 C13 P2 . . 119.8(3) no C18 C13 P2 . . 120.0(3) no C13 C14 C15 . . 119.0(4) no C13 C14 H14A . . 120.5 no C15 C14 H14A . . 120.5 no C16 C15 C14 . . 119.6(5) no C16 C15 H15A . . 120.2 no C14 C15 H15A . . 120.2 no C17 C16 C15 . . 120.7(4) no C17 C16 H16A . . 119.6 no C15 C16 H16A . . 119.6 no C18 C17 C16 . . 120.6(5) no C18 C17 H17A . . 119.7 no C16 C17 H17A . . 119.7 no C17 C18 C13 . . 119.9(5) no C17 C18 H18A . . 120.1 no C13 C18 H18A . . 120.1 no C20 C19 C24 . . 118.9(3) no C20 C19 P2 . . 123.3(2) no C24 C19 P2 . . 117.6(2) no C19 C20 C21 . . 120.1(3) no C19 C20 H20A . . 120.0 no C21 C20 H20A . . 120.0 no C22 C21 C20 . . 120.0(3) no C22 C21 H21A . . 120.0 no C20 C21 H21A . . 120.0 no C21 C22 C23 . . 120.6(3) no C21 C22 H22A . . 119.7 no C23 C22 H22A . . 119.7 no C22 C23 C24 . . 119.5(3) no C22 C23 H23A . . 120.2 no C24 C23 H23A . . 120.2 no C23 C24 C19 . . 120.8(3) no C23 C24 H24A . . 119.6 no C19 C24 H24A . . 119.6 no C26 C25 P1 . . 110.97(18) no C26 C25 H25A . . 109.4 no P1 C25 H25A . . 109.4 no C26 C25 H25B . . 109.4 no P1 C25 H25B . . 109.4 no H25A C25 H25B . . 108.0 no C27 C26 C25 . . 111.3(2) no C27 C26 H26A . . 109.4 no C25 C26 H26A . . 109.4 no C27 C26 H26B . . 109.4 no C25 C26 H26B . . 109.4 no H26A C26 H26B . . 108.0 no C26 C27 P2 . 2 112.12(18) no C26 C27 H27A . . 109.2 no P2 C27 H27A 2 . 109.2 no C26 C27 H27B . . 109.2 no P2 C27 H27B 2 . 109.2 no H27A C27 H27B . . 107.9 no F3 B1 F1 . . 116.9(5) no F3 B1 F4 . . 108.0(6) no F1 B1 F4 . . 99.8(5) no F3 B1 F2 . . 115.1(4) no F1 B1 F2 . . 107.4(3) no F4 B1 F2 . . 108.4(4) no loop_ _geom_torsion_atom_site_label_1 _geom_torsion_atom_site_label_2 _geom_torsion_atom_site_label_3 _geom_torsion_atom_site_label_4 _geom_torsion_site_symmetry_1 _geom_torsion_site_symmetry_4 _geom_torsion _geom_torsion_publ_flag P2 Ag1 P1 C7 . . -35.63(12) no P2 Ag1 P1 C1 . . 85.81(12) no P2 Ag1 P1 C25 . . -155.45(11) no P1 Ag1 P2 C13 . . -122.22(12) no P1 Ag1 P2 C19 . . 0.00(13) no P1 Ag1 P2 C27 . 2 114.20(12) no C7 P1 C1 C2 . . 21.8(3) no C25 P1 C1 C2 . . 132.3(2) no Ag1 P1 C1 C2 . . -103.7(2) no C7 P1 C1 C6 . . -161.5(2) no C25 P1 C1 C6 . . -51.0(2) no Ag1 P1 C1 C6 . . 73.0(2) no C6 C1 C2 C3 . . 0.8(5) no P1 C1 C2 C3 . . 177.5(2) no C1 C2 C3 C4 . . 0.3(5) no C2 C3 C4 C5 . . -0.3(5) no C3 C4 C5 C6 . . -0.8(5) no C4 C5 C6 C1 . . 1.8(5) no C2 C1 C6 C5 . . -1.9(4) no P1 C1 C6 C5 . . -178.6(2) no C1 P1 C7 C12 . . 63.5(3) no C25 P1 C7 C12 . . -45.8(3) no Ag1 P1 C7 C12 . . -170.0(2) no C1 P1 C7 C8 . . -117.3(2) no C25 P1 C7 C8 . . 133.3(2) no Ag1 P1 C7 C8 . . 9.1(3) no C12 C7 C8 C9 . . -1.4(5) no P1 C7 C8 C9 . . 179.4(3) no C7 C8 C9 C10 . . 1.5(6) no C8 C9 C10 C11 . . -0.9(7) no C9 C10 C11 C12 . . 0.1(7) no C10 C11 C12 C7 . . 0.0(6) no C8 C7 C12 C11 . . 0.7(5) no P1 C7 C12 C11 . . 179.8(3) no C19 P2 C13 C14 . . -130.2(3) no C27 P2 C13 C14 2 . 120.3(3) no Ag1 P2 C13 C14 . . -7.4(3) no C19 P2 C13 C18 . . 52.3(3) no C27 P2 C13 C18 2 . -57.2(3) no Ag1 P2 C13 C18 . . 175.0(2) no C18 C13 C14 C15 . . -1.2(5) no P2 C13 C14 C15 . . -178.8(3) no C13 C14 C15 C16 . . -0.8(6) no C14 C15 C16 C17 . . 1.4(7) no C15 C16 C17 C18 . . 0.0(8) no C16 C17 C18 C13 . . -2.0(7) no C14 C13 C18 C17 . . 2.6(5) no P2 C13 C18 C17 . . -179.8(3) no C13 P2 C19 C20 . . 15.2(3) no C27 P2 C19 C20 2 . 125.7(2) no Ag1 P2 C19 C20 . . -113.6(2) no C13 P2 C19 C24 . . -169.7(2) no C27 P2 C19 C24 2 . -59.1(2) no Ag1 P2 C19 C24 . . 61.5(2) no C24 C19 C20 C21 . . -0.9(4) no P2 C19 C20 C21 . . 174.2(2) no C19 C20 C21 C22 . . -0.1(5) no C20 C21 C22 C23 . . 1.1(5) no C21 C22 C23 C24 . . -1.1(5) no C22 C23 C24 C19 . . 0.0(5) no C20 C19 C24 C23 . . 1.0(4) no P2 C19 C24 C23 . . -174.4(3) no C7 P1 C25 C26 . . -68.0(2) no C1 P1 C25 C26 . . -178.80(19) no Ag1 P1 C25 C26 . . 56.2(2) no P1 C25 C26 C27 . . -157.3(2) no C25 C26 C27 P2 . 2_444 167.82(19) no _cod_database_fobs_code 2202284