Electronic Supplementary Material for Chemical Communications This journal is © The Royal SOciety of Chemistry 2006 data_global _journal_name_full Chem.Commun. _journal_coden_Cambridge 0182 _publ_contact_author_name 'Peter Roesky' _publ_contact_author_address ; Fachbereich Biologie Freie Universitat Berlin Institut fur Chemia/Anorg.und Analy Fabookstrabe, 34-36 Berlin D-14195 GERMANY ; _publ_contact_author_email ROESKY@CHEMIE.FU-BERLIN.DE _publ_section_title ; A Bis(phosphinimino)methanide Lanthanum Amide as Catalyst for the Hydroamination / Cyclisation, Hydrosilylation and Sequential Hydroamination / Hydrosilylation Catalysis. ; loop_ _publ_author_name 'Peter Roesky' 'Marcus Rastatter' 'Agustino Zulys' data_1 _database_code_depnum_ccdc_archive 'CCDC 286336' _audit_creation_method SHELXL-97 _chemical_name_systematic ; ? ; _chemical_name_common ? _chemical_melting_point ? _chemical_formula_moiety ? _chemical_formula_sum 'C39 H67 La N4 P2 Si6' _chemical_formula_weight 961.36 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' P P 0.1023 0.0942 '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' La La -0.2871 2.4523 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' _symmetry_cell_setting monoclinic _symmetry_space_group_name_H-M 'P 21/n' loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-x+1/2, y+1/2, -z+1/2' '-x, -y, -z' 'x-1/2, -y-1/2, z-1/2' _cell_length_a 11.7780(7) _cell_length_b 21.7067(10) _cell_length_c 19.7688(15) _cell_angle_alpha 90.00 _cell_angle_beta 92.381(6) _cell_angle_gamma 90.00 _cell_volume 5049.8(5) _cell_formula_units_Z 4 _cell_measurement_temperature 200(2) _cell_measurement_reflns_used ? _cell_measurement_theta_min ? _cell_measurement_theta_max ? _exptl_crystal_description prism _exptl_crystal_colour colorless _exptl_crystal_size_max 0.323 _exptl_crystal_size_mid 0.254 _exptl_crystal_size_min 0.169 _exptl_crystal_density_meas ? _exptl_crystal_density_diffrn 1.265 _exptl_crystal_density_method 'not measured' _exptl_crystal_F_000 2000 _exptl_absorpt_coefficient_mu 1.081 _exptl_absorpt_correction_type integration _exptl_absorpt_correction_T_min 0.7570 _exptl_absorpt_correction_T_max 0.8449 _exptl_absorpt_process_details 'STOE X-RED & X-SHAPE' _exptl_special_details ; ? ; _diffrn_ambient_temperature 200(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 'STOE IPDS 2T' _diffrn_measurement_method 'area detector' _diffrn_detector_area_resol_mean ? _diffrn_standards_number ? _diffrn_standards_interval_count ? _diffrn_standards_interval_time ? _diffrn_standards_decay_% ? _diffrn_reflns_number 23698 _diffrn_reflns_av_R_equivalents 0.0615 _diffrn_reflns_av_sigmaI/netI 0.0826 _diffrn_reflns_limit_h_min -13 _diffrn_reflns_limit_h_max 13 _diffrn_reflns_limit_k_min -25 _diffrn_reflns_limit_k_max 25 _diffrn_reflns_limit_l_min -15 _diffrn_reflns_limit_l_max 23 _diffrn_reflns_theta_min 2.73 _diffrn_reflns_theta_max 25.00 _reflns_number_total 8793 _reflns_number_gt 5997 _reflns_threshold_expression >2sigma(I) _computing_data_collection 'STOE X-AREA' _computing_cell_refinement 'STOE X-AREA' _computing_data_reduction 'STOE X-RED' _computing_structure_solution 'SHELXS-97 (Sheldrick, 1997)' _computing_structure_refinement 'SHELXL-97 (Sheldrick, 1997)' _computing_molecular_graphics 'Diamond 2.1e' _computing_publication_material 'X-STEP32, Microsoft Word' _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^)+(0.0000P)^2^+0.0000P] 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_number_reflns 8793 _refine_ls_number_parameters 483 _refine_ls_number_restraints 0 _refine_ls_R_factor_all 0.0506 _refine_ls_R_factor_gt 0.0323 _refine_ls_wR_factor_ref 0.0542 _refine_ls_wR_factor_gt 0.0532 _refine_ls_goodness_of_fit_ref 1.004 _refine_ls_restrained_S_all 1.004 _refine_ls_shift/su_max 0.003 _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 C1 C 0.7161(2) 0.93692(17) 0.76411(18) 0.0262(9) Uani 1 1 d . . . H1 H 0.7018 0.9684 0.7997 0.031 Uiso 1 1 calc R . . C2 C 0.9241(2) 0.90696(18) 0.69200(18) 0.0272(9) Uani 1 1 d . . . C3 C 0.9550(2) 0.8518(2) 0.6639(2) 0.0373(10) Uani 1 1 d . . . H3 H 0.9384 0.8144 0.6863 0.045 Uiso 1 1 calc R . . C4 C 1.0104(3) 0.8501(2) 0.6028(2) 0.0465(11) Uani 1 1 d . . . H4 H 1.0318 0.8120 0.5835 0.056 Uiso 1 1 calc R . . C5 C 1.0334(3) 0.9048(3) 0.5712(2) 0.0493(12) Uani 1 1 d . . . H5 H 1.0713 0.9043 0.5297 0.059 Uiso 1 1 calc R . . C6 C 1.0021(3) 0.9604(2) 0.5988(2) 0.0474(12) Uani 1 1 d . . . H6 H 1.0186 0.9980 0.5766 0.057 Uiso 1 1 calc R . . C7 C 0.9469(3) 0.9608(2) 0.65866(19) 0.0355(10) Uani 1 1 d . . . H7 H 0.9241 0.9989 0.6773 0.043 Uiso 1 1 calc R . . C8 C 0.9347(2) 0.96248(17) 0.82395(18) 0.0255(8) Uani 1 1 d . . . C9 C 1.0494(3) 0.97326(19) 0.8138(2) 0.0379(10) Uani 1 1 d . . . H9 H 1.0849 0.9542 0.7769 0.046 Uiso 1 1 calc R . . C10 C 1.1116(3) 1.0115(2) 0.8572(2) 0.0471(12) Uani 1 1 d . . . H10 H 1.1897 1.0187 0.8498 0.057 Uiso 1 1 calc R . . C11 C 1.0624(3) 1.0393(2) 0.9108(2) 0.0504(12) Uani 1 1 d . . . H11 H 1.1058 1.0658 0.9401 0.061 Uiso 1 1 calc R . . C12 C 0.9489(3) 1.0286(2) 0.9222(2) 0.0437(11) Uani 1 1 d . . . H12 H 0.9142 1.0471 0.9596 0.052 Uiso 1 1 calc R . . C13 C 0.8871(3) 0.99109(19) 0.8790(2) 0.0348(10) Uani 1 1 d . . . H13 H 0.8091 0.9843 0.8869 0.042 Uiso 1 1 calc R . . C14 C 0.6592(3) 0.9436(2) 0.6196(2) 0.0322(10) Uani 1 1 d . . . C15 C 0.6686(3) 0.8932(2) 0.5778(2) 0.0445(11) Uani 1 1 d . . . H15 H 0.6463 0.8538 0.5935 0.053 Uiso 1 1 calc R . . C16 C 0.7105(3) 0.8988(3) 0.5127(2) 0.0622(14) Uani 1 1 d . . . H16 H 0.7181 0.8634 0.4849 0.075 Uiso 1 1 calc R . . C17 C 0.7403(3) 0.9557(3) 0.4897(2) 0.0606(15) Uani 1 1 d . . . H17 H 0.7669 0.9599 0.4452 0.073 Uiso 1 1 calc R . . C18 C 0.7320(3) 1.0070(3) 0.5303(2) 0.0527(13) Uani 1 1 d . . . H18 H 0.7519 1.0466 0.5139 0.063 Uiso 1 1 calc R . . C19 C 0.6946(3) 1.0001(2) 0.5947(2) 0.0437(11) Uani 1 1 d . . . H19 H 0.6928 1.0352 0.6234 0.052 Uiso 1 1 calc R . . C20 C 0.5210(2) 1.00174(18) 0.71946(19) 0.0302(9) Uani 1 1 d . . . C21 C 0.4692(3) 1.03780(19) 0.6681(2) 0.0413(11) Uani 1 1 d . . . H21 H 0.4827 1.0291 0.6220 0.050 Uiso 1 1 calc R . . C22 C 0.3982(3) 1.0861(2) 0.6842(3) 0.0533(13) Uani 1 1 d . . . H22 H 0.3646 1.1106 0.6489 0.064 Uiso 1 1 calc R . . C23 C 0.3759(3) 1.0991(2) 0.7498(3) 0.0546(13) Uani 1 1 d . . . H23 H 0.3277 1.1326 0.7603 0.065 Uiso 1 1 calc R . . C24 C 0.4240(3) 1.0632(2) 0.8005(2) 0.0474(12) Uani 1 1 d . . . H24 H 0.4076 1.0716 0.8463 0.057 Uiso 1 1 calc R . . C25 C 0.4956(2) 1.01527(19) 0.7861(2) 0.0359(10) Uani 1 1 d . . . H25 H 0.5280 0.9911 0.8220 0.043 Uiso 1 1 calc R . . C26 C 0.8829(3) 0.7296(2) 0.8842(2) 0.0546(13) Uani 1 1 d . . . H26A H 0.8261 0.7417 0.9166 0.082 Uiso 1 1 calc R . . H26B H 0.9393 0.7025 0.9066 0.082 Uiso 1 1 calc R . . H26C H 0.8453 0.7078 0.8460 0.082 Uiso 1 1 calc R . . C27 C 1.0789(3) 0.7750(2) 0.8024(2) 0.0612(15) Uani 1 1 d . . . H27A H 1.0533 0.7451 0.7680 0.092 Uiso 1 1 calc R . . H27B H 1.1368 0.7561 0.8328 0.092 Uiso 1 1 calc R . . H27C H 1.1114 0.8110 0.7803 0.092 Uiso 1 1 calc R . . C28 C 1.0128(3) 0.8437(2) 0.9273(2) 0.0488(12) Uani 1 1 d . . . H28A H 1.0531 0.8803 0.9119 0.073 Uiso 1 1 calc R . . H28B H 1.0656 0.8175 0.9540 0.073 Uiso 1 1 calc R . . H28C H 0.9502 0.8564 0.9554 0.073 Uiso 1 1 calc R . . C29 C 0.3587(3) 0.77688(19) 0.6917(2) 0.0487(11) Uani 1 1 d . . . H29A H 0.4174 0.7493 0.6752 0.073 Uiso 1 1 calc R . . H29B H 0.2858 0.7676 0.6683 0.073 Uiso 1 1 calc R . . H29C H 0.3520 0.7710 0.7405 0.073 Uiso 1 1 calc R . . C30 C 0.3876(3) 0.8677(3) 0.5819(2) 0.0642(15) Uani 1 1 d . . . H30A H 0.4064 0.9103 0.5702 0.096 Uiso 1 1 calc R . . H30B H 0.3099 0.8584 0.5654 0.096 Uiso 1 1 calc R . . H30C H 0.4406 0.8395 0.5608 0.096 Uiso 1 1 calc R . . C31 C 0.2887(3) 0.9076(2) 0.7117(2) 0.0546(13) Uani 1 1 d . . . H31A H 0.2913 0.9025 0.7610 0.082 Uiso 1 1 calc R . . H31B H 0.2135 0.8957 0.6931 0.082 Uiso 1 1 calc R . . H31C H 0.3033 0.9508 0.7006 0.082 Uiso 1 1 calc R . . C32 C 0.3628(4) 0.7623(3) 0.9632(3) 0.0840(19) Uani 1 1 d . . . H32A H 0.4039 0.7238 0.9555 0.126 Uiso 1 1 calc R . . H32B H 0.2817 0.7562 0.9520 0.126 Uiso 1 1 calc R . . H32C H 0.3730 0.7742 1.0109 0.126 Uiso 1 1 calc R . . C33 C 0.3388(3) 0.8941(3) 0.9247(4) 0.096(2) Uani 1 1 d . . . H33A H 0.3436 0.9040 0.9731 0.145 Uiso 1 1 calc R . . H33B H 0.2590 0.8883 0.9100 0.145 Uiso 1 1 calc R . . H33C H 0.3711 0.9280 0.8990 0.145 Uiso 1 1 calc R . . C34 C 0.6649(4) 0.8132(3) 1.0510(2) 0.0779(15) Uani 1 1 d . . . H34A H 0.5963 0.8170 1.0771 0.117 Uiso 1 1 calc R . . H34B H 0.7309 0.8276 1.0784 0.117 Uiso 1 1 calc R . . H34C H 0.6760 0.7699 1.0386 0.117 Uiso 1 1 calc R . . C35 C 0.6197(3) 0.9411(2) 0.9979(2) 0.0572(14) Uani 1 1 d . . . H35A H 0.6172 0.9675 0.9576 0.086 Uiso 1 1 calc R . . H35B H 0.6800 0.9554 1.0298 0.086 Uiso 1 1 calc R . . H35C H 0.5464 0.9431 1.0196 0.086 Uiso 1 1 calc R . . C36 C 0.4316(3) 0.6315(2) 0.7807(3) 0.0705(16) Uani 1 1 d . . . H36A H 0.3867 0.6653 0.7986 0.106 Uiso 1 1 calc R . . H36B H 0.4108 0.5928 0.8025 0.106 Uiso 1 1 calc R . . H36C H 0.4164 0.6281 0.7317 0.106 Uiso 1 1 calc R . . C37 C 0.6074(4) 0.6466(3) 0.8907(2) 0.0657(15) Uani 1 1 d . . . H37A H 0.6876 0.6384 0.9026 0.099 Uiso 1 1 calc R . . H37B H 0.5603 0.6143 0.9100 0.099 Uiso 1 1 calc R . . H37C H 0.5859 0.6867 0.9089 0.099 Uiso 1 1 calc R . . C38 C 0.6126(3) 0.6987(3) 0.6091(2) 0.0657(15) Uani 1 1 d . . . H38A H 0.5722 0.6596 0.6137 0.099 Uiso 1 1 calc R . . H38B H 0.6620 0.6964 0.5705 0.099 Uiso 1 1 calc R . . H38C H 0.5574 0.7321 0.6017 0.099 Uiso 1 1 calc R . . C39 C 0.8309(3) 0.6664(3) 0.6837(2) 0.0768(18) Uani 1 1 d . . . H39A H 0.8823 0.6764 0.7224 0.115 Uiso 1 1 calc R . . H39B H 0.8687 0.6751 0.6416 0.115 Uiso 1 1 calc R . . H39C H 0.8106 0.6227 0.6852 0.115 Uiso 1 1 calc R . . N1 N 0.85379(17) 0.84042(14) 0.80548(14) 0.0265(7) Uani 1 1 d . . . N2 N 0.53398(19) 0.87283(14) 0.70940(14) 0.0288(7) Uani 1 1 d . . . N3 N 0.5604(2) 0.83162(17) 0.91229(16) 0.0426(9) Uani 1 1 d . . . N4 N 0.6348(2) 0.71259(15) 0.76221(15) 0.0336(8) Uani 1 1 d . . . P1 P 0.85412(6) 0.90763(5) 0.77207(5) 0.0245(2) Uani 1 1 d . . . P2 P 0.60746(6) 0.93479(5) 0.70328(5) 0.0271(2) Uani 1 1 d . . . Si1 Si 0.95496(7) 0.79992(5) 0.85253(6) 0.0351(3) Uani 1 1 d . . . Si2 Si 0.39853(7) 0.85817(6) 0.67470(6) 0.0348(3) Uani 1 1 d . . . Si3 Si 0.41837(8) 0.82323(7) 0.90960(6) 0.0503(3) Uani 1 1 d . . . HI3 H 0.3971 0.8109 0.8620 0.060 Uiso 1 1 calc R . . Si4 Si 0.64869(8) 0.86066(6) 0.97285(6) 0.0440(3) Uani 1 1 d . . . HI4 H 0.7254 0.8614 0.9531 0.053 Uiso 1 1 calc R . . Si5 Si 0.58548(9) 0.64698(6) 0.79808(6) 0.0434(3) Uani 1 1 d . . . HI5 H 0.6290 0.6116 0.7798 0.052 Uiso 1 1 calc R . . Si6 Si 0.69992(8) 0.71404(6) 0.68746(6) 0.0389(3) Uani 1 1 d . . . HI6 H 0.7266 0.7575 0.6827 0.047 Uiso 1 1 calc R . . La La 0.642992(15) 0.816302(11) 0.803747(11) 0.02560(6) Uani 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 C1 0.0204(15) 0.030(2) 0.028(2) -0.0009(18) -0.0021(14) 0.0026(15) C2 0.0170(15) 0.034(2) 0.031(2) -0.0013(19) -0.0016(14) -0.0003(15) C3 0.0287(17) 0.037(3) 0.046(3) -0.010(2) 0.0006(17) -0.0026(17) C4 0.037(2) 0.059(3) 0.044(3) -0.016(3) 0.0057(18) 0.000(2) C5 0.040(2) 0.079(4) 0.030(3) -0.004(3) 0.0106(18) 0.004(2) C6 0.039(2) 0.064(4) 0.039(3) 0.018(3) 0.0092(18) -0.002(2) C7 0.0314(18) 0.041(3) 0.034(3) -0.001(2) 0.0063(16) 0.0024(17) C8 0.0249(16) 0.024(2) 0.028(2) 0.0036(17) -0.0008(14) 0.0035(15) C9 0.0254(17) 0.047(3) 0.041(3) -0.002(2) -0.0042(16) -0.0037(18) C10 0.0287(18) 0.055(3) 0.056(3) 0.000(3) -0.0094(19) -0.011(2) C11 0.050(2) 0.046(3) 0.054(3) -0.008(3) -0.019(2) -0.012(2) C12 0.050(2) 0.051(3) 0.030(3) -0.007(2) -0.0047(18) 0.002(2) C13 0.0274(17) 0.037(3) 0.040(3) -0.003(2) -0.0068(16) 0.0014(17) C14 0.0244(17) 0.039(3) 0.032(2) -0.001(2) -0.0054(15) 0.0013(17) C15 0.040(2) 0.058(3) 0.036(3) 0.006(2) 0.0049(18) 0.007(2) C16 0.058(3) 0.093(5) 0.036(3) -0.005(3) 0.007(2) 0.010(3) C17 0.047(2) 0.104(5) 0.032(3) 0.014(3) 0.005(2) -0.007(3) C18 0.042(2) 0.067(4) 0.048(3) 0.029(3) -0.005(2) -0.012(2) C19 0.0369(19) 0.054(3) 0.040(3) 0.010(2) -0.0077(18) -0.011(2) C20 0.0210(15) 0.034(2) 0.035(2) 0.0041(19) -0.0030(15) -0.0058(15) C21 0.0389(19) 0.038(3) 0.046(3) 0.012(2) -0.0050(18) 0.0075(19) C22 0.042(2) 0.044(3) 0.072(4) 0.003(3) -0.015(2) 0.015(2) C23 0.033(2) 0.050(3) 0.080(4) -0.014(3) -0.005(2) 0.010(2) C24 0.0298(19) 0.060(3) 0.052(3) -0.017(3) 0.0023(18) 0.002(2) C25 0.0237(16) 0.039(3) 0.044(3) 0.003(2) -0.0009(16) 0.0010(17) C26 0.050(2) 0.053(3) 0.060(3) 0.021(3) -0.008(2) -0.004(2) C27 0.036(2) 0.075(4) 0.073(4) 0.006(3) 0.001(2) 0.020(2) C28 0.0394(19) 0.055(3) 0.050(3) 0.007(2) -0.0177(18) 0.002(2) C29 0.0388(18) 0.052(3) 0.054(3) -0.008(3) -0.0106(17) -0.011(2) C30 0.044(2) 0.091(4) 0.055(3) 0.008(3) -0.018(2) -0.008(2) C31 0.0225(18) 0.053(3) 0.088(4) -0.009(3) -0.0056(19) -0.0050(19) C32 0.057(3) 0.097(5) 0.100(5) 0.029(4) 0.027(3) 0.001(3) C33 0.041(2) 0.068(4) 0.180(7) 0.005(4) 0.000(3) 0.002(3) C34 0.097(3) 0.076(4) 0.060(3) 0.014(4) -0.011(2) 0.001(3) C35 0.058(3) 0.055(3) 0.057(4) -0.009(3) -0.013(2) -0.001(2) C36 0.060(3) 0.063(4) 0.087(4) 0.015(3) -0.007(2) -0.029(3) C37 0.074(3) 0.065(4) 0.058(3) 0.019(3) 0.007(2) -0.019(3) C38 0.066(2) 0.087(5) 0.044(3) -0.019(3) -0.002(2) -0.010(3) C39 0.067(3) 0.097(5) 0.068(4) -0.003(3) 0.016(2) 0.038(3) N1 0.0131(11) 0.0336(19) 0.0326(18) 0.0039(14) -0.0031(11) -0.0003(12) N2 0.0241(13) 0.034(2) 0.0279(18) 0.0022(15) -0.0077(12) 0.0003(13) N3 0.0477(16) 0.049(3) 0.031(2) -0.0056(17) 0.0084(13) 0.0000(16) N4 0.0356(15) 0.034(2) 0.0309(19) -0.0011(16) -0.0005(13) -0.0015(14) P1 0.0187(4) 0.0289(6) 0.0258(5) 0.0004(5) -0.0006(3) -0.0008(4) P2 0.0210(4) 0.0313(6) 0.0286(6) 0.0026(5) -0.0034(4) 0.0009(4) Si1 0.0261(4) 0.0378(8) 0.0410(7) 0.0074(5) -0.0040(4) 0.0031(4) Si2 0.0254(5) 0.0396(7) 0.0385(7) -0.0020(6) -0.0097(4) -0.0027(5) Si3 0.0556(6) 0.0531(9) 0.0412(7) 0.0039(7) -0.0082(5) -0.0101(7) Si4 0.0386(5) 0.0500(8) 0.0437(8) -0.0012(6) 0.0072(5) 0.0052(5) Si5 0.0468(6) 0.0327(7) 0.0508(8) 0.0025(6) 0.0032(5) -0.0034(5) Si6 0.0390(5) 0.0420(7) 0.0359(7) -0.0026(6) 0.0029(5) 0.0007(5) La 0.02132(8) 0.02826(11) 0.02706(11) 0.00241(13) -0.00099(7) -0.00253(11) _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 C1 P2 1.720(3) . ? C1 P1 1.746(3) . ? C1 La 2.875(4) . ? C2 C7 1.373(5) . ? C2 C3 1.375(5) . ? C2 P1 1.815(4) . ? C3 C4 1.397(5) . ? C4 C5 1.372(6) . ? C5 C6 1.382(6) . ? C6 C7 1.375(5) . ? C8 C13 1.392(5) . ? C8 C9 1.393(4) . ? C8 P1 1.814(4) . ? C9 C10 1.383(5) . ? C10 C11 1.369(6) . ? C11 C12 1.384(5) . ? C12 C13 1.367(5) . ? C14 C15 1.378(6) . ? C14 C19 1.393(6) . ? C14 P2 1.797(4) . ? C15 C16 1.402(6) . ? C16 C17 1.368(7) . ? C17 C18 1.380(7) . ? C18 C19 1.374(6) . ? C20 C25 1.394(5) . ? C20 C21 1.402(5) . ? C20 P2 1.811(4) . ? C21 C22 1.386(6) . ? C22 C23 1.364(6) . ? C23 C24 1.373(6) . ? C24 C25 1.377(5) . ? C26 Si1 1.867(4) . ? C27 Si1 1.877(4) . ? C28 Si1 1.863(4) . ? C29 Si2 1.860(4) . ? C30 Si2 1.846(5) . ? C31 Si2 1.854(4) . ? C32 Si3 1.833(5) . ? C33 Si3 1.833(5) . ? C34 Si4 1.860(5) . ? C35 Si4 1.851(5) . ? C36 Si5 1.861(4) . ? C37 Si5 1.839(5) . ? C38 Si6 1.853(4) . ? C39 Si6 1.861(4) . ? N1 P1 1.602(3) . ? N1 Si1 1.722(3) . ? N1 La 2.536(2) . ? N2 P2 1.607(3) . ? N2 Si2 1.740(2) . ? N2 La 2.536(3) . ? N3 Si4 1.676(3) . ? N3 Si3 1.682(3) . ? N3 La 2.415(3) . ? N4 Si6 1.693(3) . ? N4 Si5 1.704(3) . ? N4 La 2.397(3) . ? P1 La 3.2612(9) . ? P2 La 3.2659(10) . ? Si3 La 3.4440(12) . ? Si4 La 3.4768(13) . ? Si6 La 3.2848(12) . ? 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 P2 C1 P1 135.7(2) . . ? P2 C1 La 86.75(13) . . ? P1 C1 La 86.12(14) . . ? C7 C2 C3 119.1(4) . . ? C7 C2 P1 121.1(3) . . ? C3 C2 P1 119.8(3) . . ? C2 C3 C4 120.9(4) . . ? C5 C4 C3 118.6(4) . . ? C4 C5 C6 121.0(4) . . ? C7 C6 C5 119.2(4) . . ? C6 C7 C2 121.2(4) . . ? C13 C8 C9 117.5(3) . . ? C13 C8 P1 121.1(2) . . ? C9 C8 P1 121.1(3) . . ? C10 C9 C8 120.2(4) . . ? C11 C10 C9 121.0(4) . . ? C10 C11 C12 119.6(4) . . ? C13 C12 C11 119.5(4) . . ? C12 C13 C8 122.2(3) . . ? C15 C14 C19 117.1(4) . . ? C15 C14 P2 120.4(3) . . ? C19 C14 P2 122.4(3) . . ? C14 C15 C16 121.4(5) . . ? C17 C16 C15 119.3(5) . . ? C16 C17 C18 120.7(5) . . ? C19 C18 C17 119.0(5) . . ? C18 C19 C14 122.4(5) . . ? C25 C20 C21 117.6(4) . . ? C25 C20 P2 118.7(3) . . ? C21 C20 P2 123.4(3) . . ? C22 C21 C20 120.3(4) . . ? C23 C22 C21 121.2(4) . . ? C22 C23 C24 119.1(4) . . ? C23 C24 C25 121.0(4) . . ? C24 C25 C20 120.8(4) . . ? P1 N1 Si1 132.40(15) . . ? P1 N1 La 101.63(11) . . ? Si1 N1 La 123.84(14) . . ? P2 N2 Si2 127.69(18) . . ? P2 N2 La 101.69(11) . . ? Si2 N2 La 129.01(15) . . ? Si4 N3 Si3 130.56(19) . . ? Si4 N3 La 115.20(14) . . ? Si3 N3 La 113.19(15) . . ? Si6 N4 Si5 123.6(2) . . ? Si6 N4 La 105.57(16) . . ? Si5 N4 La 130.69(16) . . ? N1 P1 C1 110.52(15) . . ? N1 P1 C8 112.03(15) . . ? C1 P1 C8 105.98(16) . . ? N1 P1 C2 111.18(17) . . ? C1 P1 C2 112.28(16) . . ? C8 P1 C2 104.61(16) . . ? N1 P1 La 49.62(8) . . ? C1 P1 La 61.60(12) . . ? C8 P1 La 132.52(12) . . ? C2 P1 La 122.70(12) . . ? N2 P2 C1 110.93(16) . . ? N2 P2 C14 111.23(17) . . ? C1 P2 C14 111.73(16) . . ? N2 P2 C20 110.48(15) . . ? C1 P2 C20 105.22(17) . . ? C14 P2 C20 107.00(18) . . ? N2 P2 La 49.51(9) . . ? C1 P2 La 61.52(13) . . ? C14 P2 La 127.13(14) . . ? C20 P2 La 125.69(13) . . ? N1 Si1 C28 112.97(17) . . ? N1 Si1 C26 106.51(15) . . ? C28 Si1 C26 107.9(2) . . ? N1 Si1 C27 113.42(18) . . ? C28 Si1 C27 107.38(19) . . ? C26 Si1 C27 108.4(2) . . ? N2 Si2 C30 113.36(17) . . ? N2 Si2 C31 112.45(17) . . ? C30 Si2 C31 107.8(2) . . ? N2 Si2 C29 109.65(17) . . ? C30 Si2 C29 106.2(2) . . ? C31 Si2 C29 107.0(2) . . ? N3 Si3 C33 114.8(2) . . ? N3 Si3 C32 116.02(19) . . ? C33 Si3 C32 108.3(3) . . ? N3 Si3 La 40.14(11) . . ? C33 Si3 La 123.1(2) . . ? C32 Si3 La 128.44(18) . . ? N3 Si4 C35 115.47(18) . . ? N3 Si4 C34 115.1(2) . . ? C35 Si4 C34 108.3(2) . . ? N3 Si4 La 38.94(10) . . ? C35 Si4 La 121.47(16) . . ? C34 Si4 La 129.9(2) . . ? N4 Si5 C37 112.5(2) . . ? N4 Si5 C36 114.87(19) . . ? C37 Si5 C36 106.2(2) . . ? N4 Si6 C38 118.06(17) . . ? N4 Si6 C39 115.5(2) . . ? C38 Si6 C39 107.4(2) . . ? N4 Si6 La 44.66(12) . . ? C38 Si6 La 125.71(16) . . ? C39 Si6 La 126.64(16) . . ? N4 La N3 114.95(11) . . ? N4 La N1 102.93(9) . . ? N3 La N1 112.93(9) . . ? N4 La N2 100.98(10) . . ? N3 La N2 112.12(10) . . ? N1 La N2 112.05(9) . . ? N4 La C1 140.36(10) . . ? N3 La C1 104.65(11) . . ? N1 La C1 60.75(9) . . ? N2 La C1 60.49(9) . . ? N4 La P1 121.68(7) . . ? N3 La P1 115.16(8) . . ? N1 La P1 28.75(7) . . ? N2 La P1 86.07(6) . . ? C1 La P1 32.29(6) . . ? N4 La P2 121.94(8) . . ? N3 La P2 112.69(9) . . ? N1 La P2 86.92(7) . . ? N2 La P2 28.80(6) . . ? C1 La P2 31.73(6) . . ? P1 La P2 58.93(2) . . ? N4 La Si6 29.77(7) . . ? N3 La Si6 144.71(9) . . ? N1 La Si6 85.46(7) . . ? N2 La Si6 85.65(7) . . ? C1 La Si6 110.64(8) . . ? P1 La Si6 95.57(3) . . ? P2 La Si6 97.55(3) . . ? N4 La Si3 103.20(7) . . ? N3 La Si3 26.67(7) . . ? N1 La Si3 139.38(7) . . ? N2 La Si3 92.72(6) . . ? C1 La Si3 111.86(7) . . ? P1 La Si3 134.53(3) . . ? P2 La Si3 104.65(3) . . ? Si6 La Si3 129.72(3) . . ? N4 La Si4 126.05(8) . . ? N3 La Si4 25.85(7) . . ? N1 La Si4 87.14(7) . . ? N2 La Si4 124.19(7) . . ? C1 La Si4 90.91(8) . . ? P1 La Si4 91.82(3) . . ? P2 La Si4 111.32(3) . . ? Si6 La Si4 149.73(3) . . ? Si3 La Si4 52.29(2) . . ? 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 _geom_torsion_site_symmetry_1 _geom_torsion_site_symmetry_2 _geom_torsion_site_symmetry_3 _geom_torsion_site_symmetry_4 _geom_torsion_publ_flag C7 C2 C3 C4 1.0(5) . . . . ? P1 C2 C3 C4 -179.1(2) . . . . ? C2 C3 C4 C5 -0.1(5) . . . . ? C3 C4 C5 C6 -0.3(6) . . . . ? C4 C5 C6 C7 -0.2(6) . . . . ? C5 C6 C7 C2 1.1(6) . . . . ? C3 C2 C7 C6 -1.5(5) . . . . ? P1 C2 C7 C6 178.6(3) . . . . ? C13 C8 C9 C10 -0.5(6) . . . . ? P1 C8 C9 C10 -174.9(3) . . . . ? C8 C9 C10 C11 0.2(7) . . . . ? C9 C10 C11 C12 0.6(7) . . . . ? C10 C11 C12 C13 -1.0(7) . . . . ? C11 C12 C13 C8 0.7(6) . . . . ? C9 C8 C13 C12 0.1(6) . . . . ? P1 C8 C13 C12 174.4(3) . . . . ? C19 C14 C15 C16 -1.0(5) . . . . ? P2 C14 C15 C16 -179.0(3) . . . . ? C14 C15 C16 C17 -1.4(6) . . . . ? C15 C16 C17 C18 1.5(6) . . . . ? C16 C17 C18 C19 0.8(6) . . . . ? C17 C18 C19 C14 -3.3(6) . . . . ? C15 C14 C19 C18 3.3(5) . . . . ? P2 C14 C19 C18 -178.7(3) . . . . ? C25 C20 C21 C22 1.9(5) . . . . ? P2 C20 C21 C22 175.9(3) . . . . ? C20 C21 C22 C23 -1.0(6) . . . . ? C21 C22 C23 C24 -0.6(6) . . . . ? C22 C23 C24 C25 1.2(6) . . . . ? C23 C24 C25 C20 -0.2(6) . . . . ? C21 C20 C25 C24 -1.4(5) . . . . ? P2 C20 C25 C24 -175.6(3) . . . . ? Si1 N1 P1 C1 -153.4(2) . . . . ? La N1 P1 C1 9.87(19) . . . . ? Si1 N1 P1 C8 -35.5(3) . . . . ? La N1 P1 C8 127.81(13) . . . . ? Si1 N1 P1 C2 81.2(3) . . . . ? La N1 P1 C2 -115.53(13) . . . . ? Si1 N1 P1 La -163.3(3) . . . . ? P2 C1 P1 N1 -89.8(3) . . . . ? La C1 P1 N1 -8.53(16) . . . . ? P2 C1 P1 C8 148.6(3) . . . . ? La C1 P1 C8 -130.12(14) . . . . ? P2 C1 P1 C2 34.9(4) . . . . ? La C1 P1 C2 116.24(15) . . . . ? P2 C1 P1 La -81.3(3) . . . . ? C13 C8 P1 N1 -81.4(3) . . . . ? C9 C8 P1 N1 92.7(3) . . . . ? C13 C8 P1 C1 39.2(3) . . . . ? C9 C8 P1 C1 -146.7(3) . . . . ? C13 C8 P1 C2 158.0(3) . . . . ? C9 C8 P1 C2 -27.8(3) . . . . ? C13 C8 P1 La -26.7(4) . . . . ? C9 C8 P1 La 147.4(2) . . . . ? C7 C2 P1 N1 -171.7(2) . . . . ? C3 C2 P1 N1 8.3(3) . . . . ? C7 C2 P1 C1 63.8(3) . . . . ? C3 C2 P1 C1 -116.1(3) . . . . ? C7 C2 P1 C8 -50.6(3) . . . . ? C3 C2 P1 C8 129.5(3) . . . . ? C7 C2 P1 La 133.5(2) . . . . ? C3 C2 P1 La -46.4(3) . . . . ? Si2 N2 P2 C1 162.7(2) . . . . ? La N2 P2 C1 -3.70(19) . . . . ? Si2 N2 P2 C14 -72.2(3) . . . . ? La N2 P2 C14 121.32(14) . . . . ? Si2 N2 P2 C20 46.4(3) . . . . ? La N2 P2 C20 -120.00(15) . . . . ? Si2 N2 P2 La 166.4(3) . . . . ? P1 C1 P2 N2 84.3(3) . . . . ? La C1 P2 N2 3.20(16) . . . . ? P1 C1 P2 C14 -40.5(4) . . . . ? La C1 P2 C14 -121.54(16) . . . . ? P1 C1 P2 C20 -156.2(3) . . . . ? La C1 P2 C20 122.70(14) . . . . ? P1 C1 P2 La 81.1(3) . . . . ? C15 C14 P2 N2 -21.9(3) . . . . ? C19 C14 P2 N2 160.2(3) . . . . ? C15 C14 P2 C1 102.7(3) . . . . ? C19 C14 P2 C1 -75.2(3) . . . . ? C15 C14 P2 C20 -142.6(3) . . . . ? C19 C14 P2 C20 39.5(3) . . . . ? C15 C14 P2 La 32.7(3) . . . . ? C19 C14 P2 La -145.2(2) . . . . ? C25 C20 P2 N2 75.9(3) . . . . ? C21 C20 P2 N2 -98.0(3) . . . . ? C25 C20 P2 C1 -43.9(3) . . . . ? C21 C20 P2 C1 142.2(3) . . . . ? C25 C20 P2 C14 -162.9(3) . . . . ? C21 C20 P2 C14 23.2(3) . . . . ? C25 C20 P2 La 21.7(3) . . . . ? C21 C20 P2 La -152.2(2) . . . . ? P1 N1 Si1 C28 53.1(3) . . . . ? La N1 Si1 C28 -107.1(2) . . . . ? P1 N1 Si1 C26 171.4(3) . . . . ? La N1 Si1 C26 11.2(2) . . . . ? P1 N1 Si1 C27 -69.4(3) . . . . ? La N1 Si1 C27 130.4(2) . . . . ? P2 N2 Si2 C30 57.0(3) . . . . ? La N2 Si2 C30 -140.2(2) . . . . ? P2 N2 Si2 C31 -65.6(3) . . . . ? La N2 Si2 C31 97.2(2) . . . . ? P2 N2 Si2 C29 175.4(2) . . . . ? La N2 Si2 C29 -21.8(3) . . . . ? Si4 N3 Si3 C33 54.8(4) . . . . ? La N3 Si3 C33 -112.7(3) . . . . ? Si4 N3 Si3 C32 -72.9(4) . . . . ? La N3 Si3 C32 119.6(3) . . . . ? Si4 N3 Si3 La 167.5(4) . . . . ? Si3 N3 Si4 C35 -58.0(4) . . . . ? La N3 Si4 C35 109.3(2) . . . . ? Si3 N3 Si4 C34 69.4(4) . . . . ? La N3 Si4 C34 -123.3(2) . . . . ? Si3 N3 Si4 La -167.3(4) . . . . ? Si6 N4 Si5 C37 142.2(2) . . . . ? La N4 Si5 C37 -32.9(3) . . . . ? Si6 N4 Si5 C36 -96.2(3) . . . . ? La N4 Si5 C36 88.7(3) . . . . ? Si5 N4 Si6 C38 70.2(3) . . . . ? La N4 Si6 C38 -113.7(2) . . . . ? Si5 N4 Si6 C39 -58.9(3) . . . . ? La N4 Si6 C39 117.3(2) . . . . ? Si5 N4 Si6 La -176.1(3) . . . . ? Si6 N4 La N3 -178.79(11) . . . . ? Si5 N4 La N3 -3.0(2) . . . . ? Si6 N4 La N1 -55.58(14) . . . . ? Si5 N4 La N1 120.19(17) . . . . ? Si6 N4 La N2 60.33(13) . . . . ? Si5 N4 La N2 -123.90(18) . . . . ? Si6 N4 La C1 3.9(2) . . . . ? Si5 N4 La C1 179.62(13) . . . . ? Si6 N4 La P1 -31.84(15) . . . . ? Si5 N4 La P1 143.93(14) . . . . ? Si6 N4 La P2 38.90(14) . . . . ? Si5 N4 La P2 -145.33(15) . . . . ? Si5 N4 La Si6 175.8(3) . . . . ? Si6 N4 La Si3 155.79(10) . . . . ? Si5 N4 La Si3 -28.44(19) . . . . ? Si6 N4 La Si4 -151.54(9) . . . . ? Si5 N4 La Si4 24.2(2) . . . . ? Si4 N3 La N4 121.89(18) . . . . ? Si3 N3 La N4 -68.6(2) . . . . ? Si4 N3 La N1 4.2(2) . . . . ? Si3 N3 La N1 173.72(16) . . . . ? Si4 N3 La N2 -123.54(17) . . . . ? Si3 N3 La N2 46.0(2) . . . . ? Si4 N3 La C1 -59.9(2) . . . . ? Si3 N3 La C1 109.68(18) . . . . ? Si4 N3 La P1 -27.3(2) . . . . ? Si3 N3 La P1 142.26(15) . . . . ? Si4 N3 La P2 -92.34(18) . . . . ? Si3 N3 La P2 77.20(19) . . . . ? Si4 N3 La Si6 120.85(16) . . . . ? Si3 N3 La Si6 -69.6(2) . . . . ? Si4 N3 La Si3 -169.5(3) . . . . ? Si3 N3 La Si4 169.5(3) . . . . ? P1 N1 La N4 134.57(14) . . . . ? Si1 N1 La N4 -60.22(19) . . . . ? P1 N1 La N3 -100.88(15) . . . . ? Si1 N1 La N3 64.3(2) . . . . ? P1 N1 La N2 26.88(17) . . . . ? Si1 N1 La N2 -167.92(16) . . . . ? P1 N1 La C1 -6.41(12) . . . . ? Si1 N1 La C1 158.8(2) . . . . ? Si1 N1 La P1 165.2(3) . . . . ? P1 N1 La P2 12.49(12) . . . . ? Si1 N1 La P2 177.69(17) . . . . ? P1 N1 La Si6 110.31(13) . . . . ? Si1 N1 La Si6 -84.48(17) . . . . ? P1 N1 La Si3 -96.56(14) . . . . ? Si1 N1 La Si3 68.6(2) . . . . ? P1 N1 La Si4 -99.06(13) . . . . ? Si1 N1 La Si4 66.15(17) . . . . ? P2 N2 La N4 -139.95(13) . . . . ? Si2 N2 La N4 53.9(2) . . . . ? P2 N2 La N3 97.18(15) . . . . ? Si2 N2 La N3 -69.0(2) . . . . ? P2 N2 La N1 -31.01(17) . . . . ? Si2 N2 La N1 162.80(18) . . . . ? P2 N2 La C1 2.38(12) . . . . ? Si2 N2 La C1 -163.8(2) . . . . ? P2 N2 La P1 -18.42(12) . . . . ? Si2 N2 La P1 175.4(2) . . . . ? Si2 N2 La P2 -166.2(3) . . . . ? P2 N2 La Si6 -114.32(13) . . . . ? Si2 N2 La Si6 79.49(19) . . . . ? P2 N2 La Si3 116.04(12) . . . . ? Si2 N2 La Si3 -50.15(19) . . . . ? P2 N2 La Si4 71.12(14) . . . . ? Si2 N2 La Si4 -95.1(2) . . . . ? P2 C1 La N4 67.94(17) . . . . ? P1 C1 La N4 -68.34(18) . . . . ? P2 C1 La N3 -109.58(14) . . . . ? P1 C1 La N3 114.14(13) . . . . ? P2 C1 La N1 142.05(17) . . . . ? P1 C1 La N1 5.77(11) . . . . ? P2 C1 La N2 -2.18(11) . . . . ? P1 C1 La N2 -138.46(17) . . . . ? P2 C1 La P1 136.3(2) . . . . ? P1 C1 La P2 -136.3(2) . . . . ? P2 C1 La Si6 69.98(12) . . . . ? P1 C1 La Si6 -66.30(13) . . . . ? P2 C1 La Si3 -82.49(13) . . . . ? P1 C1 La Si3 141.23(10) . . . . ? P2 C1 La Si4 -131.74(12) . . . . ? P1 C1 La Si4 91.98(12) . . . . ? N1 P1 La N4 -54.68(16) . . . . ? C1 P1 La N4 135.83(16) . . . . ? C8 P1 La N4 -138.25(17) . . . . ? C2 P1 La N4 36.33(16) . . . . ? N1 P1 La N3 92.21(16) . . . . ? C1 P1 La N3 -77.28(16) . . . . ? C8 P1 La N3 8.64(17) . . . . ? C2 P1 La N3 -176.78(16) . . . . ? C1 P1 La N1 -169.5(2) . . . . ? C8 P1 La N1 -83.6(2) . . . . ? C2 P1 La N1 91.0(2) . . . . ? N1 P1 La N2 -155.16(16) . . . . ? C1 P1 La N2 35.35(15) . . . . ? C8 P1 La N2 121.27(16) . . . . ? C2 P1 La N2 -64.15(15) . . . . ? N1 P1 La C1 169.5(2) . . . . ? C8 P1 La C1 85.9(2) . . . . ? C2 P1 La C1 -99.5(2) . . . . ? N1 P1 La P2 -165.40(14) . . . . ? C1 P1 La P2 25.11(14) . . . . ? C8 P1 La P2 111.03(15) . . . . ? C2 P1 La P2 -74.39(14) . . . . ? N1 P1 La Si6 -69.93(14) . . . . ? C1 P1 La Si6 120.58(14) . . . . ? C8 P1 La Si6 -153.50(15) . . . . ? C2 P1 La Si6 21.08(14) . . . . ? N1 P1 La Si3 114.88(14) . . . . ? C1 P1 La Si3 -54.61(14) . . . . ? C8 P1 La Si3 31.31(15) . . . . ? C2 P1 La Si3 -154.11(14) . . . . ? N1 P1 La Si4 80.68(14) . . . . ? C1 P1 La Si4 -88.81(14) . . . . ? C8 P1 La Si4 -2.89(15) . . . . ? C2 P1 La Si4 171.69(14) . . . . ? N2 P2 La N4 48.10(16) . . . . ? C1 P2 La N4 -135.84(15) . . . . ? C14 P2 La N4 -39.09(16) . . . . ? C20 P2 La N4 135.42(14) . . . . ? N2 P2 La N3 -94.97(16) . . . . ? C1 P2 La N3 81.10(15) . . . . ? C14 P2 La N3 177.85(15) . . . . ? C20 P2 La N3 -7.65(15) . . . . ? N2 P2 La N1 151.43(15) . . . . ? C1 P2 La N1 -32.50(15) . . . . ? C14 P2 La N1 64.25(15) . . . . ? C20 P2 La N1 -121.25(14) . . . . ? C1 P2 La N2 176.1(2) . . . . ? C14 P2 La N2 -87.2(2) . . . . ? C20 P2 La N2 87.32(19) . . . . ? N2 P2 La C1 -176.1(2) . . . . ? C14 P2 La C1 96.75(19) . . . . ? C20 P2 La C1 -88.75(19) . . . . ? N2 P2 La P1 158.40(14) . . . . ? C1 P2 La P1 -25.53(13) . . . . ? C14 P2 La P1 71.22(14) . . . . ? C20 P2 La P1 -114.28(13) . . . . ? N2 P2 La Si6 66.43(14) . . . . ? C1 P2 La Si6 -117.50(14) . . . . ? C14 P2 La Si6 -20.75(14) . . . . ? C20 P2 La Si6 153.75(13) . . . . ? N2 P2 La Si3 -68.07(14) . . . . ? C1 P2 La Si3 107.99(14) . . . . ? C14 P2 La Si3 -155.25(14) . . . . ? C20 P2 La Si3 19.25(13) . . . . ? N2 P2 La Si4 -122.85(14) . . . . ? C1 P2 La Si4 53.21(14) . . . . ? C14 P2 La Si4 149.96(14) . . . . ? C20 P2 La Si4 -35.53(13) . . . . ? C38 Si6 La N4 95.5(2) . . . . ? C39 Si6 La N4 -90.6(3) . . . . ? N4 Si6 La N3 1.90(18) . . . . ? C38 Si6 La N3 97.4(2) . . . . ? C39 Si6 La N3 -88.7(3) . . . . ? N4 Si6 La N1 126.24(14) . . . . ? C38 Si6 La N1 -138.2(2) . . . . ? C39 Si6 La N1 35.6(2) . . . . ? N4 Si6 La N2 -121.19(14) . . . . ? C38 Si6 La N2 -25.6(2) . . . . ? C39 Si6 La N2 148.2(2) . . . . ? N4 Si6 La C1 -177.37(14) . . . . ? C38 Si6 La C1 -81.8(2) . . . . ? C39 Si6 La C1 92.0(2) . . . . ? N4 Si6 La P1 153.19(13) . . . . ? C38 Si6 La P1 -111.3(2) . . . . ? C39 Si6 La P1 62.6(2) . . . . ? N4 Si6 La P2 -147.48(13) . . . . ? C38 Si6 La P2 -51.9(2) . . . . ? C39 Si6 La P2 121.9(2) . . . . ? N4 Si6 La Si3 -31.26(13) . . . . ? C38 Si6 La Si3 64.3(2) . . . . ? C39 Si6 La Si3 -121.9(2) . . . . ? N4 Si6 La Si4 49.87(14) . . . . ? C38 Si6 La Si4 145.4(2) . . . . ? C39 Si6 La Si4 -40.7(2) . . . . ? N3 Si3 La N4 119.9(2) . . . . ? C33 Si3 La N4 -150.0(2) . . . . ? C32 Si3 La N4 34.0(3) . . . . ? C33 Si3 La N3 90.1(3) . . . . ? C32 Si3 La N3 -85.8(3) . . . . ? N3 Si3 La N1 -8.9(2) . . . . ? C33 Si3 La N1 81.2(3) . . . . ? C32 Si3 La N1 -94.8(3) . . . . ? N3 Si3 La N2 -138.2(2) . . . . ? C33 Si3 La N2 -48.0(2) . . . . ? C32 Si3 La N2 136.0(3) . . . . ? N3 Si3 La C1 -79.0(2) . . . . ? C33 Si3 La C1 11.1(2) . . . . ? C32 Si3 La C1 -164.8(3) . . . . ? N3 Si3 La P1 -51.0(2) . . . . ? C33 Si3 La P1 39.1(2) . . . . ? C32 Si3 La P1 -136.8(2) . . . . ? N3 Si3 La P2 -111.58(19) . . . . ? C33 Si3 La P2 -21.5(2) . . . . ? C32 Si3 La P2 162.6(2) . . . . ? N3 Si3 La Si6 135.24(19) . . . . ? C33 Si3 La Si6 -134.6(2) . . . . ? C32 Si3 La Si6 49.4(2) . . . . ? N3 Si3 La Si4 -5.75(19) . . . . ? C33 Si3 La Si4 84.4(2) . . . . ? C32 Si3 La Si4 -91.6(2) . . . . ? N3 Si4 La N4 -72.2(2) . . . . ? C35 Si4 La N4 -164.77(17) . . . . ? C34 Si4 La N4 8.8(2) . . . . ? C35 Si4 La N3 -92.6(2) . . . . ? C34 Si4 La N3 81.0(3) . . . . ? N3 Si4 La N1 -176.1(2) . . . . ? C35 Si4 La N1 91.30(17) . . . . ? C34 Si4 La N1 -95.1(2) . . . . ? N3 Si4 La N2 69.0(2) . . . . ? C35 Si4 La N2 -23.57(17) . . . . ? C34 Si4 La N2 150.0(2) . . . . ? N3 Si4 La C1 123.2(2) . . . . ? C35 Si4 La C1 30.64(16) . . . . ? C34 Si4 La C1 -155.8(2) . . . . ? N3 Si4 La P1 155.5(2) . . . . ? C35 Si4 La P1 62.92(15) . . . . ? C34 Si4 La P1 -123.52(19) . . . . ? N3 Si4 La P2 98.3(2) . . . . ? C35 Si4 La P2 5.73(16) . . . . ? C34 Si4 La P2 179.28(19) . . . . ? N3 Si4 La Si6 -100.2(2) . . . . ? C35 Si4 La Si6 167.23(15) . . . . ? C34 Si4 La Si6 -19.2(2) . . . . ? N3 Si4 La Si3 5.92(19) . . . . ? C35 Si4 La Si3 -86.64(16) . . . . ? C34 Si4 La Si3 86.91(19) . . . . ? _diffrn_measured_fraction_theta_max 0.990 _diffrn_reflns_theta_full 25.00 _diffrn_measured_fraction_theta_full 0.990 _refine_diff_density_max 0.458 _refine_diff_density_min -0.827 _refine_diff_density_rms 0.075 #END==========================================================================