# Supplementary Material (ESI) for ChemComm # This journal is © The Royal Society of Chemistry 2000 # CCDC Number: 182/1514 #======================================================================= data_global #======================================================================= _audit_creation_date 19-10-99 # 1. SUBMISSION DETAILS _publ_contact_author_name # Name of author for correspondance ; ; _publ_contact_author_address # Address of author for correspondance ; ; _publ_contact_author_phone 'xxxxxxxxxx' _publ_contact_author_fax 'xxxxxxxxxx' _publ_contact_author_email xxx@xx.xx.xx _publ_requested_journal '' _publ_contact_letter ; ; _publ_requested_category FM #======================================================================= # 2. PROCESSING SUMMARY (IUCr Office Use Only) _journal_date_recd_electronic ? _journal_date_to_coeditor ? _journal_date_from_coeditor ? _journal_date_accepted ? _journal_date_printers_first ? _journal_date_printers_final ? _journal_date_proofs_out ? _journal_date_proofs_in ? _journal_coeditor_name ? _journal_coeditor_code ? _journal_coeditor_notes ; ? ; _journal_techeditor_code ? _journal_techeditor_notes ; ? ; _journal_coden_ASTM ? _journal_name_full ? _journal_year ? _journal_volume ? _journal_issue ? _journal_page_first ? _journal_page_last ? _journal_suppl_publ_number ? _journal_suppl_publ_pages ? #======================================================================= # 3. TITLE AND AUTHOR LIST _publ_section_title ; ? ; # The loop structure below should contain the names and addresses of all # authors, in the required order of publication. Repeat as necessary. loop_ _publ_author_name _publ_author_address 'Dupont Karl' #<--'Last name, first name' ; Research School of Chemistry National Laboratory Ouchnock Islandia ; # 4. TEXT _publ_section_abstract ; ? ; _publ_section_comment ; ? ; _publ_section_exptl_prep ; ? ; _publ_section_exptl_refinement ; ? ; _publ_section_references ; Burla, M.C., Camalli, M., Cascarano, G.,Giacovazzo, C., Polidori, G., Spagna, R. &Viterbo, D. (1989). SIR. J. Appl. Cryst. 22, 389-393. OpenMoleN, Interactive Intelligent Structure solution (1997) Nonius B.V., Delft, The Netherlands. KappaCCD Operation Manual (1997), Nonius B.V., Delft, The Nederlands. Otwinowski, Z. & Minor, W. (1997), Methods in Enzymology, 276, 307-326. ; _publ_section_figure_captions ; ? ; _publ_section_acknowledgements ; ? ; #======================================================================= data_st472 #======================================================================= # 5. CHEMICAL DATA _chemical_name_systematic ; ? ; _chemical_name_common ? _chemical_formula_moiety 'C22H22N2AgPF6.MeOH.0.75CH2Cl2' _chemical_formula_structural ? _chemical_formula_analytical ? _chemical_formula_sum 'C95 H110 Ag4 Cl6 F24 N8 O4 P4' _chemical_formula_weight 2652.04 _chemical_melting_point ? _chemical_compound_source ? loop_ _atom_type_symbol _atom_type_description _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_source C ? 0.002 0.002 International_Tables_Vol_IV_Table_2.3.1 H ? 0.000 0.000 International_Tables_Vol_IV_Table_2.3.1 Ag ? -1.085 1.101 International_Tables_Vol_IV_Table_2.3.1 Cl ? 0.132 0.159 International_Tables_Vol_IV_Table_2.3.1 F ? 0.014 0.010 International_Tables_Vol_IV_Table_2.3.1 N ? 0.004 0.003 International_Tables_Vol_IV_Table_2.3.1 O ? 0.008 0.006 International_Tables_Vol_IV_Table_2.3.1 P ? 0.090 0.095 International_Tables_Vol_IV_Table_2.3.1 #======================================================================= # 6. CRYSTAL DATA _symmetry_cell_setting monoclinic _symmetry_space_group_name_H-M 'C 1 2/m 1' _symmetry_space_group_name_Hall '-C 2y' loop_ _symmetry_equiv_pos_as_xyz 'x,y,z' -x,+y,-z -x,-y,-z +x,-y,+z 1/2+x,1/2+y,+z 1/2-x,1/2+y,-z 1/2-x,1/2-y,-z 1/2+x,1/2-y,+z _cell_length_a 24.2853(5) _cell_length_b 19.1082(7) _cell_length_c 11.9631(4) _cell_angle_alpha 90 _cell_angle_beta 108.051(2) _cell_angle_gamma 90 _cell_volume 5278.2(5) _cell_formula_units_Z 2 _cell_measurement_temperature 173 _cell_measurement_reflns_used 28326 _cell_measurement_theta_min 1.4 _cell_measurement_theta_max 27.5 _cell_special_details ; Cell parameters refined using Scalepack part of DENZO Z. Otwinowski, W. Minor, 1997 ; _exptl_crystal_description prism _exptl_crystal_colour 'colorless' _exptl_crystal_size_max 0.20 _exptl_crystal_size_mid 0.16 _exptl_crystal_size_min 0.14 _exptl_crystal_density_meas ? _exptl_crystal_density_diffrn 1.67 _exptl_crystal_density_method 'none' _exptl_crystal_F_000 2668 _exptl_absorpt_coefficient_mu 1.039 _exptl_absorpt_correction_type none _exptl_absorpt_correction_T_min ? _exptl_absorpt_correction_T_max ? #======================================================================= # 7. EXPERIMENTAL DATA _diffrn_special_details ; ? ; _diffrn_ambient_temperature 173 _diffrn_radiation_wavelength 0.71073 _diffrn_radiation_type Mo-K\a _diffrn_source xray_tube _diffrn_radiation_monochromator graphite _diffrn_measurement_device_type KappaCCD _diffrn_measurement_method '\p scans' _diffrn_measurement_details ; 28326 reflections were collected using program Collect ("Collect" Data collection software, Nonius B.V., 1998) The conditions were as follow : crystal to detector distance = 36. mm. Scan angle = 2.0 deg 1 scans of 150 sec per frame. Data collection was divided into 4 set(s) with the following starting angles and number of frames : Set 1 Theta = 8.40 Omega = -216.00 Kappa = 180.00 86 frames Set 2 Theta = -8.00 Kappa = 48.40 Phi = 95.00 31 frames Set 3 Theta = -6.20 Kappa = 193.00 Phi = -203.00 48 frames Set 4 Theta = -8.20 Kappa = -29.00 Phi = 105.00 29 frames Friedel pairs were averaged. Internal R = 0.04 ; _diffrn_standards_number ? _diffrn_standards_interval_count ? _diffrn_standards_interval_time ? _diffrn_standards_decay_% 0 _diffrn_reflns_number 28326 _diffrn_reflns_av_R_equivalents 0.040 _diffrn_reflns_av_sigmaI/netI 0.333 _diffrn_reflns_limit_h_min 0 _diffrn_reflns_limit_h_max 31 _diffrn_reflns_limit_k_min -24 _diffrn_reflns_limit_k_max 24 _diffrn_reflns_limit_l_min -15 _diffrn_reflns_limit_l_max 14 _diffrn_reflns_theta_min 2.5 _diffrn_reflns_theta_max 27.52 _reflns_number_total 6246 _reflns_number_gt 3937 _reflns_threshold_expression >3.0\s(I) _computing_structure_solution Direct_methods_(SIR,_Burla_et_al.,_1989) _computing_structure_refinement LSFM_OpenMoleN_(_1997) _computing_molecular_graphics ? _computing_publication_material CIFGEN_IN_OpenMoleN_(_1997) #======================================================================= # 8. REFINEMENT DATA _refine_ls_structure_factor_coef F _refine_ls_matrix_type full _refine_ls_weighting_scheme '4Fo^2^/(\s^2^(Fo^2^)+0.0004 Fo^4^)+2.0' _refine_ls_hydrogen_treatment noref _refine_ls_extinction_method none _refine_ls_extinction_expression ? _refine_ls_extinction_coef ? _refine_ls_abs_structure_Flack ? _refine_ls_number_reflns 3937 _refine_ls_number_parameters 340 _refine_ls_number_restraints 38 _refine_ls_number_constraints 0 _refine_ls_R_factor_all 0.097 _refine_ls_R_factor_gt 0.063 _refine_ls_wR_factor_all 0.141 _refine_ls_wR_factor_ref 0.083 _refine_ls_goodness_of_fit_all 2.527 _refine_ls_goodness_of_fit_ref 1.521 _refine_ls_shift/su_max 0.045 _refine_ls_shift/esd_mean 0.001 _refine_diff_density_max 0.983 _refine_diff_density_min -0.673 #======================================================================= # 9. ATOMIC COORDINATES AND THERMAL PARAMETERS loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv _atom_site_occupancy _atom_site_thermal_displace_type _atom_site_calc_flag _atom_site_calc_attached_atom _atom_site_type_symbol AG1 0.5000 0.25881(6) 1.0000 0.0381(4) 0.500 Uani ? ? Ag AG2 0.12089(3) 0.0000 -0.25002(7) 0.0320(4) 0.500 Uani ? ? Ag N1 0.2050(3) 0.0000 -0.1224(6) 0.030(4) 0.500 Uani ? ? N C1 0.2338(3) 0.0000 -0.0264(7) 0.024(4) 0.500 Uani ? ? C C2 0.2685(3) 0.0000 0.0955(7) 0.023(4) 0.500 Uani ? ? C C3 0.2842(2) 0.0654(4) 0.1517(5) 0.025(3) 1.000 Uani ? ? C C4 0.2668(3) 0.1325(4) 0.0825(6) 0.032(3) 1.000 Uani ? ? C C5 0.3169(2) 0.0643(3) 0.2721(5) 0.022(3) 1.000 Uani ? ? C C6 0.3362(3) 0.1343(4) 0.3355(5) 0.028(3) 1.000 Uani ? ? C C7 0.3241(3) 0.1470(4) 0.4521(5) 0.025(3) 1.000 Uani ? ? C C8 0.2682(3) 0.1389(4) 0.4626(5) 0.026(3) 1.000 Uani ? ? C C9 0.2573(3) 0.1484(4) 0.5691(5) 0.026(3) 1.000 Uani ? ? C C10 0.3012(3) 0.1743(4) 0.6669(5) 0.030(3) 1.000 Uani ? ? C C11 0.3563(3) 0.1856(4) 0.6542(5) 0.027(3) 1.000 Uani ? ? C C12 0.3693(3) 0.1715(4) 0.5488(5) 0.028(3) 1.000 Uani ? ? C C13 0.3345(3) 0.0000 0.3292(7) 0.023(4) 0.500 Uani ? ? C C14 0.3758(4) 0.0000 0.4549(7) 0.028(4) 0.500 Uani ? ? C C15 0.1966(3) 0.1360(4) 0.5799(6) 0.030(3) 1.000 Uani ? ? C C16 -0.1670(2) 0.0644(4) -0.5385(5) 0.023(3) 1.000 Uani ? ? C C17 -0.1081(2) 0.0648(4) -0.4685(5) 0.025(3) 1.000 Uani ? ? C C18 -0.0744(3) 0.1315(4) -0.4288(6) 0.031(3) 1.000 Uani ? ? C C19 -0.0811(3) 0.0000 -0.4378(7) 0.020(4) 0.500 Uani ? ? C C20 -0.1948(3) 0.0000 -0.5756(7) 0.022(4) 0.500 Uani ? ? C C21 0.2566(4) 0.0000 0.6604(8) 0.028(5) 0.500 Uani ? ? C C22 0.2177(3) -0.1201(4) 0.3521(5) 0.029(3) 1.000 Uani ? ? C C23 0.2914(3) 0.1901(5) 0.7834(6) 0.041(4) 1.000 Uani ? ? C C24 0.4303(3) 0.1840(4) 0.5446(6) 0.034(3) 1.000 Uani ? ? C C25 0.4010(3) 0.2117(4) 0.7544(6) 0.034(3) 1.000 Uani ? ? C N2 0.4357(2) 0.2332(4) 0.8357(5) 0.036(3) 1.000 Uani ? ? N N3 0.0295(3) 0.0000 -0.3293(7) 0.034(4) 0.500 Uani ? ? N C26 -0.0193(4) 0.0000 -0.3743(8) 0.026(4) 0.500 Uani ? ? C P 0.39966(7) 0.3063(1) 1.1729(2) 0.0356(9) 1.000 Uani ? ? P F1 0.4108(3) 0.3493(4) 1.2921(5) 0.084(4) 1.000 Uani ? ? F F2 0.3884(3) 0.2673(4) 1.0511(5) 0.091(3) 1.000 Uani ? ? F F3 0.3735(3) 0.3761(3) 1.1035(6) 0.077(4) 1.000 Uani ? ? F F4 0.4261(3) 0.2384(3) 1.2441(7) 0.106(4) 1.000 Uani ? ? F F5 0.4621(2) 0.3290(3) 1.1693(5) 0.068(3) 1.000 Uani ? ? F F6 0.3364(2) 0.2854(3) 1.1747(5) 0.078(3) 1.000 Uani ? ? F C27 0.411(1) 0.5000 0.946(2) 0.133(8) 0.500 Uiso ? ? C CL1 0.4291(3) 0.4244(3) 0.8735(4) 0.176(4) 1.000 Uani ? ? Cl C28 0.3778(9) 0.045(1) 0.914(2) 0.107(5) 1.000 Uiso ? ? C CL2 0.4142(7) 0.0872(8) 1.053(2) 0.127(8) 1.000 Uiso ? ? Cl C29 0.4780(5) 0.0316(7) 1.300(1) 0.096(8) 1.000 Uani ? ? C H1 0.2802 0.1708 0.1336 0.0458 1.000 Uiso calc C4 H H2 0.2837 0.1336 0.0208 0.0458 1.000 Uiso calc C4 H H3 0.2259 0.1340 0.0506 0.0458 1.000 Uiso calc C4 H H4 0.4533 0.2009 0.6185 0.0457 1.000 Uiso calc C24 H H5 0.4456 0.1416 0.5263 0.0457 1.000 Uiso calc C24 H H6 0.4291 0.2180 0.4854 0.0457 1.000 Uiso calc C24 H H7 0.3268 0.2066 0.8381 0.0571 1.000 Uiso calc C23 H H8 0.2622 0.2237 0.7742 0.0571 1.000 Uiso calc C23 H H9 0.2806 0.1477 0.8145 0.0571 1.000 Uiso calc C23 H H10 0.3167 0.1702 0.2832 0.0365 1.000 Uiso calc C6 H H11 0.3766 0.1384 0.3505 0.0365 1.000 Uiso calc C6 H H12 0.1857 0.1748 0.6184 0.0387 1.000 Uiso calc C15 H H13 0.1970 0.0947 0.6248 0.0387 1.000 Uiso calc C15 H H14 -0.0357 0.1210 -0.3825 0.0430 1.000 Uiso calc C18 H H15 -0.0734 0.1585 -0.4953 0.0430 1.000 Uiso calc C18 H H16 -0.0921 0.1590 -0.3825 0.0430 1.000 Uiso calc C18 H H17 0.1808 -0.1302 0.3569 0.0450 1.000 Uiso calc C22 H H18 0.2192 -0.1285 0.2748 0.0450 1.000 Uiso calc C22 H H19 0.2459 -0.1495 0.4058 0.0450 1.000 Uiso calc C22 H 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 _atom_site_aniso_type_symbol AG1 0.0268(4) 0.0902(7) 0.0229(3) 0.0000 -0.0032(3) 0.0000 Ag AG2 0.0202(3) 0.0493(5) 0.0329(4) 0.0000 -0.0042(3) 0.0000 Ag N1 0.025(3) 0.040(5) 0.026(3) 0.0000 0.004(3) 0.0000 N C1 0.019(3) 0.031(5) 0.025(4) 0.0000 0.007(3) 0.0000 C C2 0.022(3) 0.030(5) 0.018(3) 0.0000 0.007(3) 0.0000 C C3 0.023(2) 0.032(4) 0.020(2) -0.001(2) 0.008(2) -0.001(3) C C4 0.044(4) 0.035(4) 0.022(3) -0.003(3) 0.003(3) 0.001(3) C C5 0.023(2) 0.029(3) 0.016(2) -0.004(2) 0.008(2) -0.002(2) C C6 0.033(3) 0.027(3) 0.024(3) -0.006(3) 0.009(2) -0.000(3) C C7 0.024(3) 0.027(3) 0.025(3) -0.002(2) 0.006(2) -0.003(3) C C8 0.026(3) 0.031(4) 0.021(3) -0.004(3) -0.001(2) -0.003(3) C C9 0.019(3) 0.030(4) 0.030(3) -0.003(2) 0.006(2) -0.007(3) C C10 0.024(3) 0.038(4) 0.028(3) -0.002(3) 0.008(2) -0.008(3) C C11 0.023(3) 0.032(4) 0.025(3) -0.003(3) 0.005(2) -0.006(3) C C12 0.024(3) 0.032(4) 0.027(3) -0.005(3) 0.006(2) -0.006(3) C C13 0.023(3) 0.032(5) 0.016(3) 0.0000 0.007(3) 0.0000 C C14 0.033(4) 0.038(6) 0.018(4) 0.0000 0.001(3) 0.0000 C C15 0.024(3) 0.033(4) 0.035(3) -0.009(3) 0.013(2) -0.014(3) C C16 0.015(2) 0.038(4) 0.021(2) 0.002(2) 0.006(2) 0.003(3) C C17 0.021(2) 0.035(4) 0.021(2) -0.001(2) 0.008(2) -0.000(3) C C18 0.024(3) 0.034(4) 0.037(3) -0.001(3) 0.002(2) 0.006(3) C C19 0.010(3) 0.043(5) 0.018(3) 0.0000 0.001(3) 0.0000 C C20 0.018(3) 0.037(5) 0.015(3) 0.0000 0.005(3) 0.0000 C C21 0.013(4) 0.061(7) 0.027(4) 0.0000 0.001(3) 0.0000 C C22 0.022(3) 0.058(5) 0.020(3) 0.004(3) 0.000(2) 0.006(3) C C23 0.034(3) 0.071(5) 0.029(3) -0.014(3) 0.012(2) -0.021(3) C C24 0.026(3) 0.048(4) 0.031(3) -0.009(3) 0.008(2) -0.010(3) C C25 0.029(3) 0.043(4) 0.032(3) -0.004(3) 0.012(2) -0.002(3) C N2 0.029(3) 0.063(4) 0.026(3) -0.009(3) 0.003(2) -0.010(3) N N3 0.029(4) 0.035(5) 0.041(4) 0.0000 0.006(3) 0.0000 N C26 0.018(4) 0.037(5) 0.025(4) 0.0000 0.001(3) 0.0000 C P 0.0308(7) 0.038(1) 0.0391(8) -0.0012(7) 0.0152(6) 0.0003(8) P F1 0.090(3) 0.115(5) 0.056(3) -0.026(3) 0.029(2) -0.027(3) F F2 0.082(3) 0.111(4) 0.082(3) -0.027(3) 0.040(2) -0.052(3) F F3 0.083(3) 0.056(3) 0.100(4) 0.016(3) 0.020(3) 0.020(3) F F4 0.102(4) 0.081(4) 0.144(5) 0.030(3) 0.041(4) 0.063(3) F F5 0.039(2) 0.091(4) 0.090(3) -0.014(2) 0.031(2) -0.012(3) F F6 0.054(2) 0.078(4) 0.114(3) -0.020(2) 0.053(2) -0.012(3) F CL1 0.378(6) 0.151(4) 0.095(2) -0.082(4) 0.104(3) -0.023(3) Cl C29 0.064(6) 0.13(1) 0.103(7) -0.023(6) 0.026(5) -0.025(7) C # 10. MOLECULAR GEOMETRY loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_distance _geom_bond_site_symmetry_1 _geom_bond_site_symmetry_2 _geom_bond_publ_flag N1 C1 1.15(1) . . ? N1 C1 1.15(1) . 4_555 ? C1 C2 1.44(1) . . ? C1 C2 1.44(1) . 4_555 ? C2 C3 1.414(8) . . ? C2 C3 1.414(8) . 4_555 ? C3 C4 1.51(1) . . ? C3 C5 1.413(8) . . ? C5 C6 1.538(9) . . ? C5 C13 1.407(8) . . ? C5 C13 1.407(8) . 4_555 ? C6 C7 1.532(9) . . ? C7 C8 1.409(9) . . ? C7 C12 1.405(9) . . ? C8 C9 1.391(9) . . ? C8 C22 1.542(8) . 4_555 ? C9 C10 1.406(9) . . ? C9 C15 1.538(9) . . ? C10 C11 1.408(9) . . ? C10 C23 1.515(9) . . ? C11 C12 1.416(9) . . ? C11 C25 1.435(9) . . ? C12 C24 1.517(9) . . ? C13 C14 1.53(1) . . ? C13 C14 1.53(1) . 4_555 ? C15 C16 1.554(9) . 2_555 ? C16 C17 1.417(8) . . ? C16 C20 1.407(8) . . ? C16 C20 1.407(8) . 4_555 ? C17 C18 1.51(1) . . ? C17 C19 1.396(8) . . ? C17 C19 1.396(8) . 4_555 ? C19 C26 1.46(1) . . ? C19 C26 1.46(1) . 4_555 ? C20 C21 1.53(1) . 3_555 ? C20 C21 1.53(1) . 2_555 ? C25 N2 1.147(9) . . ? N3 C26 1.14(1) . . ? N3 C26 1.14(1) . 4_555 ? P F1 1.595(6) . . ? P F2 1.583(6) . . ? P F3 1.595(6) . . ? P F4 1.576(6) . . ? P F5 1.591(5) . . ? P F6 1.592(5) . . ? C27 CL1 1.81(2) . . ? C27 CL1 1.81(2) . 4_565 ? C28 C28 1.72(5) . 4_555 ? C28 CL2 1.81(4) . . ? C29 C29 1.21(3) . 4_555 ? 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_2 _geom_angle_site_symmetry_3 _geom_angle_publ_flag N1 C1 C2 178.3(9) . . . ? C1 C2 C3 117.9(4) . . . ? C1 C2 C3 117.9(4) . . 4_555 ? C3 C2 C3 124.2(8) . . 4_555 ? C2 C3 C4 120.0(6) . . . ? C2 C3 C5 117.1(6) . . . ? C4 C3 C5 122.9(6) . . . ? C3 C5 C6 118.7(6) . . . ? C3 C5 C13 119.8(6) . . . ? C6 C5 C13 121.3(5) . . . ? C5 C6 C7 118.1(5) . . . ? C6 C7 C8 121.8(5) . . . ? C6 C7 C12 118.7(6) . . . ? C8 C7 C12 119.4(6) . . . ? C7 C8 C9 122.0(6) . . . ? C7 C8 C22 118.7(6) . . 4_555 ? C9 C8 C22 119.3(6) . . 4_555 ? C8 C9 C10 119.8(6) . . . ? C8 C9 C15 121.1(6) . . . ? C10 C9 C15 118.9(6) . . . ? C9 C10 C11 117.7(6) . . . ? C9 C10 C23 122.8(6) . . . ? C11 C10 C23 119.6(6) . . . ? C10 C11 C12 123.2(6) . . . ? C10 C11 C25 117.5(6) . . . ? C12 C11 C25 119.3(6) . . . ? C7 C12 C11 117.6(6) . . . ? C7 C12 C24 123.1(6) . . . ? C11 C12 C24 119.3(6) . . . ? C5 C13 C5 121.8(8) . . 4_555 ? C5 C13 C14 119.1(4) . . . ? C5 C13 C14 119.1(4) . 4_555 . ? C9 C15 C16 118.0(5) . . 2_555 ? C15 C16 C17 117.8(6) . 2_555 . ? C15 C16 C20 122.7(5) . 2_555 . ? C17 C16 C20 119.3(6) . . . ? C16 C17 C18 122.7(6) . . . ? C16 C17 C19 117.2(6) . . . ? C18 C17 C19 120.1(6) . . . ? C17 C19 C17 124.9(8) . . 4_555 ? C17 C19 C26 117.5(4) . . . ? C17 C19 C26 117.5(4) . 4_555 . ? C16 C20 C16 121.9(8) . . 4_555 ? C16 C20 C21 119.0(4) . . 3_555 ? C16 C20 C21 119.0(4) . 4_555 3_555 ? C11 C25 N2 178.2(8) . . . ? C19 C26 N3 177(1) . . . ? F1 P F2 177.1(4) . . . ? F1 P F3 88.0(4) . . . ? F1 P F4 90.7(5) . . . ? F1 P F5 89.1(3) . . . ? F1 P F6 90.8(3) . . . ? F2 P F3 89.3(4) . . . ? F2 P F4 92.0(5) . . . ? F2 P F5 89.9(3) . . . ? F2 P F6 90.1(3) . . . ? F3 P F4 178.7(5) . . . ? F3 P F5 89.2(3) . . . ? F3 P F6 89.2(4) . . . ? F4 P F5 90.5(4) . . . ? F4 P F6 91.1(4) . . . ? F5 P F6 178.4(4) . . . ? CL1 C27 CL1 105(1) . . 4_565 ? C28 C28 CL2 116(1) . 4_555 . ?