# Electronic Supplementary Material (ESI) for Chemical Communications # This journal is © The Royal Society of Chemistry 2013 ####################################################################### # # Cambridge Crystallographic Data Centre # CCDC # ####################################################################### # # This CIF contains data from an original supplementary publication # deposited with the CCDC, and may include chemical, crystal, # experimental, refinement, atomic coordinates, # anisotropic displacement parameters and molecular geometry data, # as required by the journal to which it was submitted. # # This CIF is provided on the understanding that it is used for bona # fide research purposes only. It may contain copyright material # of the CCDC or of third parties, and may not be copied or further # disseminated in any form, whether machine-readable or not, # except for the purpose of generating routine backup copies # on your local computer system. # # For further information on the CCDC, data deposition and # data retrieval see: # www.ccdc.cam.ac.uk # # Bona fide researchers may freely download Mercury and enCIFer # from this site to visualise CIF-encoded structures and # to carry out CIF format checking respectively. # data_10 _audit_creation_method SHELXL-97 _chemical_name_systematic ; ? ; _chemical_name_common ? _chemical_melting_point ? _chemical_formula_moiety ? _chemical_formula_sum 'C26 H48 Er N3 Si3' _chemical_formula_weight 654.20 _chemical_absolute_configuration ad 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' N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' Si Si 0.0817 0.0704 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' Er Er -0.2586 4.9576 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' _symmetry_cell_setting Orthorhombic _symmetry_space_group_name_H-M P2(1)2(1)2(1) loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-x+1/2, -y, z+1/2' '-x, y+1/2, -z+1/2' 'x+1/2, -y+1/2, -z' _cell_length_a 11.1762(8) _cell_length_b 15.7440(12) _cell_length_c 18.2008(14) _cell_angle_alpha 90.00 _cell_angle_beta 90.00 _cell_angle_gamma 90.00 _cell_volume 3202.6(4) _cell_formula_units_Z 4 _cell_measurement_temperature 293(2) _cell_measurement_reflns_used ? _cell_measurement_theta_min ? _cell_measurement_theta_max ? _exptl_crystal_description needle _exptl_crystal_colour pink _exptl_crystal_size_max 0.32 _exptl_crystal_size_mid 0.13 _exptl_crystal_size_min 0.12 _exptl_crystal_density_meas ? _exptl_crystal_density_diffrn 1.357 _exptl_crystal_density_method 'not measured' _exptl_crystal_F_000 1340 _exptl_absorpt_coefficient_mu 2.750 _exptl_absorpt_correction_type multi-scan _exptl_absorpt_correction_T_min 0.4732 _exptl_absorpt_correction_T_max 0.7338 _exptl_absorpt_process_details ? _exptl_special_details ; ? ; _diffrn_ambient_temperature 293(2) _diffrn_radiation_wavelength 0.71073 _diffrn_radiation_type MoK\a _diffrn_radiation_source 'fine-focus sealed tube' _diffrn_radiation_monochromator graphite _diffrn_measurement_device_type ? _diffrn_measurement_method ? _diffrn_detector_area_resol_mean ? _diffrn_standards_number ? _diffrn_standards_interval_count ? _diffrn_standards_interval_time ? _diffrn_standards_decay_% ? _diffrn_reflns_number 27941 _diffrn_reflns_av_R_equivalents 0.0318 _diffrn_reflns_av_sigmaI/netI 0.0315 _diffrn_reflns_limit_h_min -14 _diffrn_reflns_limit_h_max 14 _diffrn_reflns_limit_k_min -20 _diffrn_reflns_limit_k_max 20 _diffrn_reflns_limit_l_min -23 _diffrn_reflns_limit_l_max 19 _diffrn_reflns_theta_min 1.71 _diffrn_reflns_theta_max 27.75 _reflns_number_total 7481 _reflns_number_gt 6075 _reflns_threshold_expression >2sigma(I) _computing_data_collection ? _computing_cell_refinement ? _computing_data_reduction ? _computing_structure_solution 'SHELXS-97 (Sheldrick, 1990)' _computing_structure_refinement 'SHELXL-97 (Sheldrick, 1997)' _computing_molecular_graphics ? _computing_publication_material ? _refine_special_details ; Refinement of F^2^ against ALL reflections. The weighted R-factor wR and goodness of fit S are based on F^2^, conventional R-factors R are based on F, with F set to zero for negative F^2^. The threshold expression of F^2^ > 2sigma(F^2^) is used only for calculating R-factors(gt) etc. and is not relevant to the choice of reflections for refinement. R-factors based on F^2^ are statistically about twice as large as those based on F, and R- factors based on ALL data will be even larger. ; _refine_ls_structure_factor_coef Fsqd _refine_ls_matrix_type full _refine_ls_weighting_scheme calc _refine_ls_weighting_details 'calc w=1/[\s^2^(Fo^2^)+(0.0496P)^2^+1.0170P] where P=(Fo^2^+2Fc^2^)/3' _atom_sites_solution_primary direct _atom_sites_solution_secondary difmap _atom_sites_solution_hydrogens geom _refine_ls_hydrogen_treatment constr _refine_ls_extinction_method none _refine_ls_extinction_coef ? _refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881' _refine_ls_abs_structure_Flack -0.016(10) _refine_ls_number_reflns 7481 _refine_ls_number_parameters 308 _refine_ls_number_restraints 0 _refine_ls_R_factor_all 0.0368 _refine_ls_R_factor_gt 0.0253 _refine_ls_wR_factor_ref 0.0732 _refine_ls_wR_factor_gt 0.0649 _refine_ls_goodness_of_fit_ref 0.817 _refine_ls_restrained_S_all 0.817 _refine_ls_shift/su_max 0.002 _refine_ls_shift/su_mean 0.000 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 Er1 Er 0.247547(16) 0.546276(8) 0.376985(7) 0.05104(6) Uani 1 1 d . . . Si2 Si 0.24469(14) 0.75127(7) 0.30386(7) 0.0734(3) Uani 1 1 d . . . Si3 Si 0.02548(11) 0.64480(9) 0.29252(7) 0.0713(3) Uani 1 1 d . . . Si1 Si 0.53079(13) 0.55095(12) 0.45735(8) 0.0856(4) Uani 1 1 d . . . C13 C 0.5003(4) 0.5281(4) 0.3100(3) 0.0701(13) Uani 1 1 d . . . H13 H 0.5476 0.4764 0.3174 0.084 Uiso 1 1 calc R . . N1 N 0.4430(3) 0.5479(2) 0.37968(16) 0.0591(8) Uani 1 1 d . . . C23 C -0.0237(5) 0.5315(4) 0.3080(3) 0.0925(18) Uani 1 1 d . . . H23A H 0.0454 0.4953 0.3106 0.139 Uiso 1 1 calc R . . H23B H -0.0739 0.5137 0.2681 0.139 Uiso 1 1 calc R . . H23C H -0.0675 0.5278 0.3532 0.139 Uiso 1 1 calc R . . C5 C 0.2494(6) 0.4523(2) 0.5015(2) 0.0788(13) Uani 1 1 d . . . N2 N 0.3096(3) 0.4503(2) 0.2777(2) 0.0688(9) Uani 1 1 d . . . C1 C 0.2969(5) 0.5335(3) 0.5186(2) 0.0712(12) Uani 1 1 d . . . C20 C 0.2196(5) 0.4360(4) 0.2191(3) 0.0951(18) Uani 1 1 d . . . H20A H 0.2539 0.4015 0.1811 0.143 Uiso 1 1 calc R . . H20B H 0.1954 0.4896 0.1989 0.143 Uiso 1 1 calc R . . H20C H 0.1512 0.4076 0.2395 0.143 Uiso 1 1 calc R . . N3 N 0.1712(3) 0.6568(2) 0.31817(17) 0.0567(8) Uani 1 1 d . . . C2 C 0.2043(5) 0.5915(4) 0.5119(2) 0.0779(14) Uani 1 1 d . . . H2 H 0.2111 0.6492 0.5219 0.093 Uiso 1 1 calc R . . C3 C 0.0990(5) 0.5518(4) 0.4879(3) 0.0875(16) Uani 1 1 d . . . H3 H 0.0263 0.5780 0.4775 0.105 Uiso 1 1 calc R . . C10 C 0.4250(5) 0.5510(4) 0.5375(3) 0.0933(17) Uani 1 1 d . . . H10A H 0.4516 0.5086 0.5726 0.112 Uiso 1 1 calc R . . H10B H 0.4296 0.6059 0.5615 0.112 Uiso 1 1 calc R . . C14 C 0.4074(4) 0.5086(3) 0.2495(2) 0.0645(11) Uani 1 1 d . . . H14 H 0.3684 0.5627 0.2380 0.077 Uiso 1 1 calc R . . C7 C 0.2306(11) 0.3023(4) 0.4844(4) 0.153(4) Uani 1 1 d . . . H7 H 0.2638 0.2482 0.4852 0.183 Uiso 1 1 calc R . . C4 C 0.1245(5) 0.4650(4) 0.4825(3) 0.0888(17) Uani 1 1 d . . . C6 C 0.2983(7) 0.3700(4) 0.5016(3) 0.107(2) Uani 1 1 d . . . H6 H 0.3784 0.3623 0.5137 0.128 Uiso 1 1 calc R . . C17 C 0.6453(5) 0.5721(6) 0.2095(3) 0.116(2) Uani 1 1 d . . . H17A H 0.7000 0.5254 0.2181 0.140 Uiso 1 1 calc R . . H17B H 0.6914 0.6200 0.1916 0.140 Uiso 1 1 calc R . . C16 C 0.5535(5) 0.5462(5) 0.1514(3) 0.113(2) Uani 1 1 d . . . H16A H 0.5084 0.5958 0.1364 0.135 Uiso 1 1 calc R . . H16B H 0.5951 0.5244 0.1086 0.135 Uiso 1 1 calc R . . C18 C 0.5850(4) 0.5959(4) 0.2807(3) 0.0886(16) Uani 1 1 d . . . H18A H 0.5403 0.6481 0.2733 0.106 Uiso 1 1 calc R . . H18B H 0.6459 0.6071 0.3173 0.106 Uiso 1 1 calc R . . C11 C 0.6361(7) 0.4580(6) 0.4611(4) 0.170(4) Uani 1 1 d . . . H11A H 0.5923 0.4064 0.4526 0.255 Uiso 1 1 calc R . . H11B H 0.6733 0.4557 0.5086 0.255 Uiso 1 1 calc R . . H11C H 0.6965 0.4643 0.4240 0.255 Uiso 1 1 calc R . . C12 C 0.6234(6) 0.6494(6) 0.4688(3) 0.155(4) Uani 1 1 d . . . H12A H 0.6909 0.6470 0.4363 0.233 Uiso 1 1 calc R . . H12B H 0.6509 0.6532 0.5187 0.233 Uiso 1 1 calc R . . H12C H 0.5757 0.6983 0.4573 0.233 Uiso 1 1 calc R . . C15 C 0.4691(5) 0.4801(4) 0.1792(3) 0.0970(18) Uani 1 1 d . . . H15A H 0.5127 0.4279 0.1885 0.116 Uiso 1 1 calc R . . H15B H 0.4092 0.4684 0.1420 0.116 Uiso 1 1 calc R . . C9 C 0.0568(8) 0.3898(6) 0.4635(3) 0.124(3) Uani 1 1 d . . . H9 H -0.0233 0.3946 0.4502 0.148 Uiso 1 1 calc R . . C19 C 0.3541(6) 0.3682(3) 0.3035(3) 0.1012(18) Uani 1 1 d . . . H19A H 0.2879 0.3336 0.3189 0.152 Uiso 1 1 calc R . . H19B H 0.4074 0.3768 0.3442 0.152 Uiso 1 1 calc R . . H19C H 0.3961 0.3403 0.2644 0.152 Uiso 1 1 calc R . . C8 C 0.1094(11) 0.3131(6) 0.4651(4) 0.155(4) Uani 1 1 d . . . H8 H 0.0643 0.2654 0.4530 0.187 Uiso 1 1 calc R . . C21 C -0.0018(6) 0.6676(5) 0.1936(3) 0.120(2) Uani 1 1 d . . . H21A H -0.0077 0.7279 0.1864 0.181 Uiso 1 1 calc R . . H21B H -0.0751 0.6411 0.1784 0.181 Uiso 1 1 calc R . . H21C H 0.0633 0.6457 0.1648 0.181 Uiso 1 1 calc R . . C22 C -0.0832(5) 0.7095(4) 0.3474(4) 0.118(2) Uani 1 1 d . . . H22A H -0.0837 0.6900 0.3973 0.176 Uiso 1 1 calc R . . H22B H -0.1619 0.7036 0.3268 0.176 Uiso 1 1 calc R . . H22C H -0.0598 0.7682 0.3460 0.176 Uiso 1 1 calc R . . C24 C 0.3614(5) 0.7665(3) 0.3767(3) 0.0930(16) Uani 1 1 d . . . H24A H 0.3266 0.7566 0.4241 0.139 Uiso 1 1 calc R . . H24B H 0.3915 0.8236 0.3744 0.139 Uiso 1 1 calc R . . H24C H 0.4258 0.7273 0.3688 0.139 Uiso 1 1 calc R . . C25 C 0.3169(5) 0.7554(4) 0.2114(3) 0.1079(19) Uani 1 1 d . . . H25A H 0.3846 0.7180 0.2105 0.162 Uiso 1 1 calc R . . H25B H 0.3427 0.8124 0.2014 0.162 Uiso 1 1 calc R . . H25C H 0.2603 0.7380 0.1746 0.162 Uiso 1 1 calc R . . C26 C 0.1455(6) 0.8476(4) 0.3075(4) 0.125(3) Uani 1 1 d . . . H26A H 0.0788 0.8398 0.2749 0.188 Uiso 1 1 calc R . . H26B H 0.1902 0.8967 0.2927 0.188 Uiso 1 1 calc R . . H26C H 0.1168 0.8554 0.3568 0.188 Uiso 1 1 calc R . . 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 Er1 0.06137(9) 0.05228(8) 0.03948(8) 0.00007(5) -0.00160(11) -0.00419(11) Si2 0.0797(7) 0.0581(5) 0.0823(7) 0.0149(5) 0.0205(9) 0.0035(8) Si3 0.0617(6) 0.0862(8) 0.0661(7) 0.0083(7) 0.0014(6) 0.0073(6) Si1 0.0750(8) 0.1297(13) 0.0523(7) -0.0137(8) -0.0179(6) -0.0081(9) C13 0.062(3) 0.090(3) 0.058(3) -0.016(3) -0.013(2) 0.019(3) N1 0.0628(17) 0.073(2) 0.0418(17) -0.0119(16) -0.0078(14) -0.0016(15) C23 0.075(3) 0.111(4) 0.091(4) -0.009(4) -0.008(3) -0.020(4) C5 0.119(4) 0.073(2) 0.0443(19) 0.0089(16) -0.011(3) -0.025(5) N2 0.077(2) 0.073(2) 0.056(2) -0.0163(18) -0.0160(18) -0.0007(18) C1 0.091(3) 0.082(3) 0.041(2) 0.000(2) -0.003(2) -0.020(3) C20 0.093(4) 0.121(4) 0.071(3) -0.033(3) -0.014(3) -0.017(3) N3 0.0597(17) 0.0566(18) 0.0538(19) 0.0042(14) 0.0119(15) 0.0040(15) C2 0.113(4) 0.077(3) 0.044(2) 0.001(2) 0.019(2) -0.016(3) C3 0.090(3) 0.122(5) 0.051(3) 0.016(3) 0.011(2) -0.022(3) C10 0.123(4) 0.114(4) 0.043(2) -0.007(3) -0.014(3) -0.036(4) C14 0.069(3) 0.078(3) 0.046(2) -0.0155(19) -0.008(2) 0.014(2) C7 0.281(12) 0.074(3) 0.104(5) 0.024(3) -0.052(8) -0.028(7) C4 0.108(4) 0.110(5) 0.049(3) 0.018(3) -0.006(3) -0.046(4) C6 0.174(7) 0.084(4) 0.063(3) 0.015(3) -0.025(3) -0.007(4) C17 0.072(3) 0.207(7) 0.070(3) -0.024(4) 0.011(3) 0.000(4) C16 0.081(3) 0.196(7) 0.061(3) -0.029(4) 0.012(3) 0.004(4) C18 0.059(2) 0.142(5) 0.065(3) -0.021(3) 0.003(2) -0.011(3) C11 0.154(7) 0.252(11) 0.103(5) -0.019(6) -0.053(5) 0.100(7) C12 0.128(5) 0.259(10) 0.078(4) -0.032(6) -0.001(4) -0.109(6) C15 0.089(4) 0.143(5) 0.059(3) -0.039(3) 0.000(3) 0.017(4) C9 0.157(6) 0.153(6) 0.060(3) 0.031(4) -0.011(4) -0.081(6) C19 0.140(5) 0.067(3) 0.096(4) -0.021(3) -0.014(4) 0.019(3) C8 0.273(13) 0.113(6) 0.080(5) 0.020(4) -0.025(6) -0.096(8) C21 0.099(4) 0.177(7) 0.085(4) 0.026(4) -0.025(3) 0.002(4) C22 0.078(3) 0.124(5) 0.151(6) -0.006(4) 0.039(4) 0.022(3) C24 0.114(4) 0.067(3) 0.097(4) -0.002(3) 0.012(3) -0.020(3) C25 0.110(4) 0.119(4) 0.095(4) 0.036(4) 0.033(3) -0.006(4) C26 0.137(5) 0.066(3) 0.172(7) 0.022(4) 0.017(5) 0.023(3) _geom_special_details ; All esds (except the esd in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell esds are taken into account individually in the estimation of esds in distances, angles and torsion angles; correlations between esds in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell esds is used for estimating esds involving l.s. planes. ; 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 Er1 N1 2.185(3) . ? Er1 N3 2.214(3) . ? Er1 N2 2.455(4) . ? Er1 C2 2.601(4) . ? Er1 C3 2.615(5) . ? Er1 C1 2.644(4) . ? Er1 C4 2.687(5) . ? Er1 C5 2.706(4) . ? Si2 N3 1.719(3) . ? Si2 C26 1.880(6) . ? Si2 C24 1.875(6) . ? Si2 C25 1.868(5) . ? Si3 N3 1.704(4) . ? Si3 C21 1.862(6) . ? Si3 C22 1.874(5) . ? Si3 C23 1.888(7) . ? Si1 N1 1.721(3) . ? Si1 C12 1.875(7) . ? Si1 C10 1.878(6) . ? Si1 C11 1.880(7) . ? C13 N1 1.455(6) . ? C13 C14 1.544(6) . ? C13 C18 1.524(7) . ? C13 H13 0.9800 . ? C23 H23A 0.9600 . ? C23 H23B 0.9600 . ? C23 H23C 0.9600 . ? C5 C4 1.452(8) . ? C5 C6 1.406(8) . ? C5 C1 1.419(6) . ? N2 C19 1.462(6) . ? N2 C20 1.484(6) . ? N2 C14 1.516(6) . ? C1 C2 1.385(8) . ? C1 C10 1.498(7) . ? C20 H20A 0.9600 . ? C20 H20B 0.9600 . ? C20 H20C 0.9600 . ? C2 C3 1.402(7) . ? C2 H2 0.9300 . ? C3 C4 1.400(8) . ? C3 H3 0.9300 . ? C10 H10A 0.9700 . ? C10 H10B 0.9700 . ? C14 C15 1.521(6) . ? C14 H14 0.9800 . ? C7 C6 1.344(10) . ? C7 C8 1.409(14) . ? C7 H7 0.9300 . ? C4 C9 1.447(8) . ? C6 H6 0.9300 . ? C17 C18 1.508(7) . ? C17 C16 1.528(8) . ? C17 H17A 0.9700 . ? C17 H17B 0.9700 . ? C16 C15 1.493(9) . ? C16 H16A 0.9700 . ? C16 H16B 0.9700 . ? C18 H18A 0.9700 . ? C18 H18B 0.9700 . ? C11 H11A 0.9600 . ? C11 H11B 0.9600 . ? C11 H11C 0.9600 . ? C12 H12A 0.9600 . ? C12 H12B 0.9600 . ? C12 H12C 0.9600 . ? C15 H15A 0.9700 . ? C15 H15B 0.9700 . ? C9 C8 1.344(12) . ? C9 H9 0.9300 . ? C19 H19A 0.9600 . ? C19 H19B 0.9600 . ? C19 H19C 0.9600 . ? C8 H8 0.9300 . ? C21 H21A 0.9600 . ? C21 H21B 0.9600 . ? C21 H21C 0.9600 . ? C22 H22A 0.9600 . ? C22 H22B 0.9600 . ? C22 H22C 0.9600 . ? C24 H24A 0.9600 . ? C24 H24B 0.9600 . ? C24 H24C 0.9600 . ? C25 H25A 0.9600 . ? C25 H25B 0.9600 . ? C25 H25C 0.9600 . ? C26 H26A 0.9600 . ? C26 H26B 0.9600 . ? C26 H26C 0.9600 . ? 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 N1 Er1 N3 112.76(12) . . ? N1 Er1 N2 75.01(12) . . ? N3 Er1 N2 103.69(11) . . ? N1 Er1 C2 99.29(15) . . ? N3 Er1 C2 99.77(16) . . ? N2 Er1 C2 156.25(16) . . ? N1 Er1 C3 128.11(15) . . ? N3 Er1 C3 95.87(16) . . ? N2 Er1 C3 140.16(17) . . ? C2 Er1 C3 31.19(16) . . ? N1 Er1 C1 76.73(14) . . ? N3 Er1 C1 127.70(14) . . ? N2 Er1 C1 127.73(15) . . ? C2 Er1 C1 30.61(17) . . ? C3 Er1 C1 51.86(17) . . ? N1 Er1 C4 120.09(16) . . ? N3 Er1 C4 121.52(17) . . ? N2 Er1 C4 112.18(17) . . ? C2 Er1 C4 50.25(16) . . ? C3 Er1 C4 30.58(19) . . ? C1 Er1 C4 51.21(15) . . ? N1 Er1 C5 88.85(16) . . ? N3 Er1 C5 146.87(15) . . ? N2 Er1 C5 106.12(14) . . ? C2 Er1 C5 50.27(16) . . ? C3 Er1 C5 51.45(19) . . ? C1 Er1 C5 30.73(13) . . ? C4 Er1 C5 31.24(18) . . ? N3 Si2 C26 114.3(2) . . ? N3 Si2 C24 109.6(2) . . ? C26 Si2 C24 106.4(3) . . ? N3 Si2 C25 111.9(2) . . ? C26 Si2 C25 105.0(3) . . ? C24 Si2 C25 109.4(3) . . ? N3 Si3 C21 113.6(2) . . ? N3 Si3 C22 114.4(3) . . ? C21 Si3 C22 107.7(3) . . ? N3 Si3 C23 110.0(2) . . ? C21 Si3 C23 106.2(3) . . ? C22 Si3 C23 104.2(3) . . ? N1 Si1 C12 115.4(3) . . ? N1 Si1 C10 106.2(2) . . ? C12 Si1 C10 105.1(3) . . ? N1 Si1 C11 111.4(3) . . ? C12 Si1 C11 107.1(4) . . ? C10 Si1 C11 111.5(3) . . ? N1 C13 C14 111.6(4) . . ? N1 C13 C18 115.3(4) . . ? C14 C13 C18 107.9(4) . . ? N1 C13 H13 107.2 . . ? C14 C13 H13 107.2 . . ? C18 C13 H13 107.2 . . ? C13 N1 Si1 118.1(3) . . ? C13 N1 Er1 114.7(2) . . ? Si1 N1 Er1 126.06(17) . . ? Si3 C23 H23A 109.5 . . ? Si3 C23 H23B 109.5 . . ? H23A C23 H23B 109.5 . . ? Si3 C23 H23C 109.5 . . ? H23A C23 H23C 109.5 . . ? H23B C23 H23C 109.5 . . ? C4 C5 C6 120.0(5) . . ? C4 C5 C1 106.8(5) . . ? C6 C5 C1 133.2(6) . . ? C4 C5 Er1 73.6(2) . . ? C6 C5 Er1 120.5(3) . . ? C1 C5 Er1 72.2(2) . . ? C19 N2 C20 109.1(4) . . ? C19 N2 C14 113.5(4) . . ? C20 N2 C14 109.7(4) . . ? C19 N2 Er1 113.8(3) . . ? C20 N2 Er1 115.5(3) . . ? C14 N2 Er1 94.6(2) . . ? C2 C1 C5 107.1(5) . . ? C2 C1 C10 127.9(5) . . ? C5 C1 C10 125.0(6) . . ? C2 C1 Er1 73.0(2) . . ? C5 C1 Er1 77.1(2) . . ? C10 C1 Er1 114.2(3) . . ? N2 C20 H20A 109.5 . . ? N2 C20 H20B 109.5 . . ? H20A C20 H20B 109.5 . . ? N2 C20 H20C 109.5 . . ? H20A C20 H20C 109.5 . . ? H20B C20 H20C 109.5 . . ? Si3 N3 Si2 120.7(2) . . ? Si3 N3 Er1 114.45(17) . . ? Si2 N3 Er1 124.68(18) . . ? C1 C2 C3 111.2(5) . . ? C1 C2 Er1 76.4(3) . . ? C3 C2 Er1 75.0(3) . . ? C1 C2 H2 124.4 . . ? C3 C2 H2 124.4 . . ? Er1 C2 H2 116.0 . . ? C4 C3 C2 106.6(5) . . ? C4 C3 Er1 77.5(3) . . ? C2 C3 Er1 73.9(3) . . ? C4 C3 H3 126.7 . . ? C2 C3 H3 126.7 . . ? Er1 C3 H3 114.4 . . ? C1 C10 Si1 115.0(3) . . ? C1 C10 H10A 108.5 . . ? Si1 C10 H10A 108.5 . . ? C1 C10 H10B 108.5 . . ? Si1 C10 H10B 108.5 . . ? H10A C10 H10B 107.5 . . ? N2 C14 C15 115.7(4) . . ? N2 C14 C13 111.3(4) . . ? C15 C14 C13 110.7(4) . . ? N2 C14 H14 106.2 . . ? C15 C14 H14 106.2 . . ? C13 C14 H14 106.2 . . ? C6 C7 C8 120.2(8) . . ? C6 C7 H7 119.9 . . ? C8 C7 H7 119.9 . . ? C5 C4 C3 108.3(4) . . ? C5 C4 C9 116.6(6) . . ? C3 C4 C9 135.1(7) . . ? C5 C4 Er1 75.1(2) . . ? C3 C4 Er1 71.9(3) . . ? C9 C4 Er1 119.1(4) . . ? C7 C6 C5 120.8(8) . . ? C7 C6 H6 119.6 . . ? C5 C6 H6 119.6 . . ? C18 C17 C16 111.1(4) . . ? C18 C17 H17A 109.4 . . ? C16 C17 H17A 109.4 . . ? C18 C17 H17B 109.4 . . ? C16 C17 H17B 109.4 . . ? H17A C17 H17B 108.0 . . ? C15 C16 C17 112.1(5) . . ? C15 C16 H16A 109.2 . . ? C17 C16 H16A 109.2 . . ? C15 C16 H16B 109.2 . . ? C17 C16 H16B 109.2 . . ? H16A C16 H16B 107.9 . . ? C17 C18 C13 113.8(5) . . ? C17 C18 H18A 108.8 . . ? C13 C18 H18A 108.8 . . ? C17 C18 H18B 108.8 . . ? C13 C18 H18B 108.8 . . ? H18A C18 H18B 107.7 . . ? Si1 C11 H11A 109.5 . . ? Si1 C11 H11B 109.5 . . ? H11A C11 H11B 109.5 . . ? Si1 C11 H11C 109.5 . . ? H11A C11 H11C 109.5 . . ? H11B C11 H11C 109.5 . . ? Si1 C12 H12A 109.5 . . ? Si1 C12 H12B 109.5 . . ? H12A C12 H12B 109.5 . . ? Si1 C12 H12C 109.5 . . ? H12A C12 H12C 109.5 . . ? H12B C12 H12C 109.5 . . ? C16 C15 C14 111.5(5) . . ? C16 C15 H15A 109.3 . . ? C14 C15 H15A 109.3 . . ? C16 C15 H15B 109.3 . . ? C14 C15 H15B 109.3 . . ? H15A C15 H15B 108.0 . . ? C8 C9 C4 120.0(8) . . ? C8 C9 H9 120.0 . . ? C4 C9 H9 120.0 . . ? N2 C19 H19A 109.5 . . ? N2 C19 H19B 109.5 . . ? H19A C19 H19B 109.5 . . ? N2 C19 H19C 109.5 . . ? H19A C19 H19C 109.5 . . ? H19B C19 H19C 109.5 . . ? C9 C8 C7 122.3(7) . . ? C9 C8 H8 118.8 . . ? C7 C8 H8 118.8 . . ? Si3 C21 H21A 109.5 . . ? Si3 C21 H21B 109.5 . . ? H21A C21 H21B 109.5 . . ? Si3 C21 H21C 109.5 . . ? H21A C21 H21C 109.5 . . ? H21B C21 H21C 109.5 . . ? Si3 C22 H22A 109.5 . . ? Si3 C22 H22B 109.5 . . ? H22A C22 H22B 109.5 . . ? Si3 C22 H22C 109.5 . . ? H22A C22 H22C 109.5 . . ? H22B C22 H22C 109.5 . . ? Si2 C24 H24A 109.5 . . ? Si2 C24 H24B 109.5 . . ? H24A C24 H24B 109.5 . . ? Si2 C24 H24C 109.5 . . ? H24A C24 H24C 109.5 . . ? H24B C24 H24C 109.5 . . ? Si2 C25 H25A 109.5 . . ? Si2 C25 H25B 109.5 . . ? H25A C25 H25B 109.5 . . ? Si2 C25 H25C 109.5 . . ? H25A C25 H25C 109.5 . . ? H25B C25 H25C 109.5 . . ? Si2 C26 H26A 109.5 . . ? Si2 C26 H26B 109.5 . . ? H26A C26 H26B 109.5 . . ? Si2 C26 H26C 109.5 . . ? H26A C26 H26C 109.5 . . ? H26B C26 H26C 109.5 . . ? _diffrn_measured_fraction_theta_max 0.996 _diffrn_reflns_theta_full 27.75 _diffrn_measured_fraction_theta_full 0.996 _refine_diff_density_max 0.556 _refine_diff_density_min -0.707 _refine_diff_density_rms 0.064 _database_code_depnum_ccdc_archive 'CCDC 966418'