#------------------------------------------------------------------------------ #$Date: 2020-06-05 13:53:38 +0300 (Fri, 05 Jun 2020) $ #$Revision: 252808 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/55/78/1557843.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_1557843 loop_ _publ_author_name 'Jost, Maximilian' 'Richter, Roman-Malte' 'Balmer, Markus' 'Peters, Bertram' 'Dankert, Fabian' 'von H\"anisch, Carsten' _publ_section_title ; Coordination polymers of alkali metal cyclosiloxazanides with one- and two-dimensional structures. ; _journal_issue 18 _journal_name_full 'Dalton transactions (Cambridge, England : 2003)' _journal_page_first 5787 _journal_page_last 5790 _journal_paper_doi 10.1039/d0dt01060j _journal_volume 49 _journal_year 2020 _chemical_formula_moiety 'C8 H24 N O Rb Si4' _chemical_formula_sum 'C8 H24 N O Rb Si4' _chemical_formula_weight 348.11 _space_group_crystal_system monoclinic _space_group_IT_number 14 _space_group_name_Hall '-P 2ybc' _space_group_name_H-M_alt 'P 1 21/c 1' _atom_sites_solution_hydrogens geom _atom_sites_solution_primary direct _audit_creation_date 2019-07-04 _audit_creation_method ; Olex2 1.2 (compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506) ; _audit_update_record ; 2020-03-30 deposited with the CCDC. 2020-04-08 downloaded from the CCDC. ; _cell_angle_alpha 90 _cell_angle_beta 109.493(2) _cell_angle_gamma 90 _cell_formula_units_Z 4 _cell_length_a 8.9604(2) _cell_length_b 16.9073(3) _cell_length_c 12.2222(3) _cell_measurement_reflns_used 3170 _cell_measurement_temperature 100.0 _cell_measurement_theta_max 67.998 _cell_measurement_theta_min 4.644 _cell_volume 1745.49(7) _computing_data_collection 'STOE X-AREA' _computing_molecular_graphics 'Olex2 (Dolomanov et al., 2009)' _computing_publication_material 'Olex2 (Dolomanov et al., 2009) and MS-Word' _computing_structure_refinement 'ShelXL (Sheldrick, 2015)' _computing_structure_solution 'ShelXS (Sheldrick, 2008)' _diffrn_ambient_temperature 100.0 _diffrn_measured_fraction_theta_full 0.998 _diffrn_measured_fraction_theta_max 0.998 _diffrn_measurement_device_type Stadi-Cu _diffrn_measurement_method '\w scans' _diffrn_radiation_type CuK\a _diffrn_radiation_wavelength 1.54186 _diffrn_reflns_av_R_equivalents 0.0455 _diffrn_reflns_av_unetI/netI 0.0251 _diffrn_reflns_Laue_measured_fraction_full 0.998 _diffrn_reflns_Laue_measured_fraction_max 0.998 _diffrn_reflns_limit_h_max 10 _diffrn_reflns_limit_h_min -10 _diffrn_reflns_limit_k_max 20 _diffrn_reflns_limit_k_min -19 _diffrn_reflns_limit_l_max 9 _diffrn_reflns_limit_l_min -14 _diffrn_reflns_number 15178 _diffrn_reflns_point_group_measured_fraction_full 0.998 _diffrn_reflns_point_group_measured_fraction_max 0.998 _diffrn_reflns_theta_full 67.686 _diffrn_reflns_theta_max 67.998 _diffrn_reflns_theta_min 4.644 _exptl_absorpt_coefficient_mu 6.392 _exptl_absorpt_correction_T_max 45.09 _exptl_absorpt_correction_T_min 8.57 _exptl_absorpt_correction_type sphere _exptl_absorpt_process_details 'X-Area LANA 1.68.2.0 (STOE, 2016)' _exptl_crystal_colour colourless _exptl_crystal_colour_primary colourless _exptl_crystal_density_diffrn 1.325 _exptl_crystal_description block _exptl_crystal_F_000 720 _exptl_crystal_size_max 0.038 _exptl_crystal_size_mid 0.026 _exptl_crystal_size_min 0.016 _exptl_crystal_size_rad 0.112 _refine_diff_density_max 0.443 _refine_diff_density_min -0.784 _refine_diff_density_rms 0.104 _refine_ls_extinction_method none _refine_ls_goodness_of_fit_ref 1.076 _refine_ls_hydrogen_treatment constr _refine_ls_matrix_type full _refine_ls_number_parameters 144 _refine_ls_number_reflns 3170 _refine_ls_number_restraints 0 _refine_ls_restrained_S_all 1.076 _refine_ls_R_factor_all 0.0435 _refine_ls_R_factor_gt 0.0406 _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^)+(0.0897P)^2^] where P=(Fo^2^+2Fc^2^)/3' _refine_ls_weighting_scheme calc _refine_ls_wR_factor_gt 0.1159 _refine_ls_wR_factor_ref 0.1176 _reflns_Friedel_coverage 0.000 _reflns_number_gt 2894 _reflns_number_total 3170 _reflns_threshold_expression 'I > 2\s(I)' _cod_data_source_file d0dt01060j2.cif _cod_data_source_block mj377 _cod_depositor_comments 'Adding full bibliography for 1557842--1557846.cif.' _cod_database_code 1557843 _shelx_shelxl_version_number 2016/6 _shelx_space_group_comment ; The symmetry employed for this shelxl refinement is uniquely defined by the following loop, which should always be used as a source of symmetry information in preference to the above space-group names. They are only intended as comments. ; _shelx_estimated_absorpt_t_max 0.905 _shelx_estimated_absorpt_t_min 0.793 _olex2_refinement_description ; 1. Fixed Uiso At 1.5 times of: All C(H,H,H) groups 2.a Idealised Me refined as rotating group: C6(H6A,H6B,H6C), C5(H5A,H5B,H5C), C4(H4A,H4B,H4C), C8(H8A,H8B,H8C), C2(H2A, H2B,H2C), C1(H1A,H1B,H1C), C7(H7A,H7B,H7C), C3(H3A,H3B,H3C) ; _shelx_res_file ; TITL mj377_a.res in P2(1)/c mj377.res created by SHELXL-2016/6 at 16:32:04 on 04-Jul-2019 REM Old TITL REM SHELXT solution in P2(1)/c REM R1 0.096, Rweak 0.004, Alpha 0.021, Orientation as input REM Formula found by SHELXT: C8 N O Si2 Rb CELL 1.54186 8.9604 16.9073 12.2222 90 109.493 90 ZERR 4 0.0002 0.0003 0.0003 0 0.002 0 LATT 1 SYMM -X,0.5+Y,0.5-Z SFAC C H N O Rb Si UNIT 32 96 4 4 4 16 EQIV $1 +X,1.5-Y,0.5+Z EQIV $2 1-X,1-Y,1-Z L.S. 5 PLAN 20 SIZE 0.016 0.026 0.038 TEMP -173.15 FREE Rb1 Si3 FREE Rb1 Si1 FREE Rb1 C6 FREE Rb1 C2 FREE Rb1 C4_$1 FREE Rb1 C1_$2 FREE Rb1 C5_$2 FREE Rb1 Si1_$2 FREE Rb1 Si3_$2 FREE Rb1 Rb1_$2 FREE Rb1 Si2_$1 FREE Rb1 Si4_$1 BOND $H list 4 fmap 2 53 acta OMIT 0 136 REM REM REM WGHT 0.089700 FVAR 0.47415 RB1 5 0.501964 0.610108 0.586504 11.00000 0.03475 0.03746 = 0.03753 -0.00084 0.01646 -0.00087 SI3 6 0.307603 0.579459 0.261888 11.00000 0.02715 0.03721 = 0.03420 0.00114 0.01374 -0.00007 SI1 6 0.665822 0.577337 0.340384 11.00000 0.02676 0.03729 = 0.03492 0.00157 0.01448 0.00079 SI4 6 0.303121 0.676416 0.120980 11.00000 0.03012 0.03927 = 0.03458 0.00247 0.01272 0.00001 SI2 6 0.661186 0.676816 0.202305 11.00000 0.03096 0.03909 = 0.03904 0.00255 0.01823 0.00050 O1 4 0.481312 0.718350 0.150282 11.00000 0.03369 0.03772 = 0.04639 0.00553 0.01791 0.00003 N1 3 0.488431 0.559226 0.353944 11.00000 0.02811 0.03877 = 0.03499 0.00440 0.01298 0.00044 C6 1 0.172968 0.618082 0.341353 11.00000 0.03316 0.05605 = 0.03921 0.00359 0.01708 0.00446 AFIX 137 H6A 2 0.211175 0.669790 0.375508 11.00000 -1.50000 H6B 2 0.173275 0.580935 0.402979 11.00000 -1.50000 H6C 2 0.064980 0.623450 0.286575 11.00000 -1.50000 AFIX 0 C5 1 0.195402 0.490926 0.180236 11.00000 0.04110 0.04233 = 0.04382 0.00069 0.01060 -0.00571 AFIX 137 H5A 2 0.096937 0.508709 0.121604 11.00000 -1.50000 H5B 2 0.170515 0.455013 0.234689 11.00000 -1.50000 H5C 2 0.260621 0.463184 0.142108 11.00000 -1.50000 AFIX 0 C4 1 0.799505 0.760314 0.268478 11.00000 0.03675 0.04231 = 0.04836 0.00393 0.01917 -0.00076 AFIX 137 H4A 2 0.757151 0.791070 0.319454 11.00000 -1.50000 H4B 2 0.810193 0.794557 0.206822 11.00000 -1.50000 H4C 2 0.903480 0.738966 0.313751 11.00000 -1.50000 AFIX 0 C8 1 0.165144 0.759461 0.121634 11.00000 0.03792 0.04565 = 0.05193 0.01212 0.02128 0.00742 AFIX 137 H8A 2 0.058995 0.738251 0.109327 11.00000 -1.50000 H8B 2 0.161022 0.796787 0.059349 11.00000 -1.50000 H8C 2 0.203207 0.786804 0.196569 11.00000 -1.50000 AFIX 0 C2 1 0.815219 0.611190 0.481810 11.00000 0.03325 0.05939 = 0.04234 0.00141 0.01647 -0.00591 AFIX 137 H2A 2 0.920189 0.614173 0.473588 11.00000 -1.50000 H2B 2 0.817908 0.573456 0.543304 11.00000 -1.50000 H2C 2 0.785123 0.663516 0.501962 11.00000 -1.50000 AFIX 0 C1 1 0.761490 0.487421 0.300146 11.00000 0.04124 0.04143 = 0.05743 0.00195 0.02894 0.00422 AFIX 137 H1A 2 0.686969 0.462405 0.231129 11.00000 -1.50000 H1B 2 0.790207 0.449734 0.364767 11.00000 -1.50000 H1C 2 0.856919 0.503483 0.283669 11.00000 -1.50000 AFIX 0 C7 1 0.243793 0.635084 -0.029221 11.00000 0.06664 0.05677 = 0.03747 -0.00115 0.01530 -0.00537 AFIX 137 H7A 2 0.312433 0.590269 -0.030748 11.00000 -1.50000 H7B 2 0.254291 0.676091 -0.082855 11.00000 -1.50000 H7C 2 0.133533 0.617210 -0.052857 11.00000 -1.50000 AFIX 0 C3 1 0.711464 0.638334 0.075036 11.00000 0.04701 0.05749 = 0.04381 0.00244 0.02527 0.00360 AFIX 137 H3A 2 0.818989 0.616567 0.101957 11.00000 -1.50000 H3B 2 0.705451 0.681582 0.020343 11.00000 -1.50000 H3C 2 0.636239 0.596733 0.036271 11.00000 -1.50000 AFIX 0 HKLF 4 REM mj377_a.res in P2(1)/c REM R1 = 0.0406 for 2894 Fo > 4sig(Fo) and 0.0435 for all 3170 data REM 144 parameters refined using 0 restraints END WGHT 0.0898 0.0000 REM Highest difference peak 0.443, deepest hole -0.784, 1-sigma level 0.104 Q1 1 0.5647 0.5431 0.7047 11.00000 0.05 0.44 Q2 1 0.5585 0.6783 0.6987 11.00000 0.05 0.43 Q3 1 0.5125 0.7037 0.5271 11.00000 0.05 0.41 Q4 1 0.4333 0.6783 0.4727 11.00000 0.05 0.41 Q5 1 0.3947 0.7946 0.0807 11.00000 0.05 0.40 Q6 1 0.5046 0.4844 0.3458 11.00000 0.05 0.39 Q7 1 0.4128 0.5611 0.4455 11.00000 0.05 0.37 Q8 1 0.5770 0.4845 0.4086 11.00000 0.05 0.37 Q9 1 0.4120 0.6403 0.4016 11.00000 0.05 0.36 Q10 1 0.6009 0.5202 0.5809 11.00000 0.05 0.36 Q11 1 0.3678 0.4802 0.3632 11.00000 0.05 0.35 Q12 1 0.4188 0.5415 0.4810 11.00000 0.05 0.35 Q13 1 0.3490 0.5986 0.2119 11.00000 0.05 0.35 Q14 1 0.5459 0.7194 0.0252 11.00000 0.05 0.34 Q15 1 0.2743 0.5017 0.2478 11.00000 0.05 0.34 Q16 1 0.5554 0.5634 0.3644 11.00000 0.05 0.33 Q17 1 0.6537 0.5789 -0.0427 11.00000 0.05 0.31 Q18 1 0.5753 0.4437 0.2034 11.00000 0.05 0.30 Q19 1 0.5917 0.8559 0.2697 11.00000 0.05 0.30 Q20 1 0.2992 0.3850 0.2515 11.00000 0.05 0.29 ; _shelx_res_checksum 85710 _olex2_submission_special_instructions 'No special instructions were received' loop_ _space_group_symop_operation_xyz 'x, y, z' '-x, y+1/2, -z+1/2' '-x, -y, -z' 'x, -y-1/2, z-1/2' 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_site_symmetry_order _atom_site_calc_flag _atom_site_refinement_flags_posn _atom_site_refinement_flags_adp _atom_site_refinement_flags_occupancy _atom_site_disorder_assembly _atom_site_disorder_group Rb1 Rb 0.50196(3) 0.61011(2) 0.58650(2) 0.03548(15) Uani 1 1 d . . . . . Si3 Si 0.30760(9) 0.57946(5) 0.26189(6) 0.0320(2) Uani 1 1 d . . . . . Si1 Si 0.66582(9) 0.57734(5) 0.34038(6) 0.0319(2) Uani 1 1 d . . . . . Si4 Si 0.30312(9) 0.67642(5) 0.12098(7) 0.0342(2) Uani 1 1 d . . . . . Si2 Si 0.66119(9) 0.67682(5) 0.20231(7) 0.0347(2) Uani 1 1 d . . . . . O1 O 0.4813(2) 0.71835(12) 0.15028(18) 0.0381(5) Uani 1 1 d . . . . . N1 N 0.4884(3) 0.55923(15) 0.3539(2) 0.0333(5) Uani 1 1 d . . . . . C6 C 0.1730(4) 0.61808(19) 0.3414(3) 0.0416(7) Uani 1 1 d . . . . . H6A H 0.211175 0.669790 0.375508 0.062 Uiso 1 1 calc GR . . . . H6B H 0.173275 0.580935 0.402979 0.062 Uiso 1 1 calc GR . . . . H6C H 0.064980 0.623450 0.286575 0.062 Uiso 1 1 calc GR . . . . C5 C 0.1954(4) 0.49093(19) 0.1802(3) 0.0433(7) Uani 1 1 d . . . . . H5A H 0.096937 0.508709 0.121604 0.065 Uiso 1 1 calc GR . . . . H5B H 0.170515 0.455013 0.234689 0.065 Uiso 1 1 calc GR . . . . H5C H 0.260621 0.463184 0.142108 0.065 Uiso 1 1 calc GR . . . . C4 C 0.7995(4) 0.76031(19) 0.2685(3) 0.0412(7) Uani 1 1 d . . . . . H4A H 0.757151 0.791070 0.319454 0.062 Uiso 1 1 calc GR . . . . H4B H 0.810193 0.794557 0.206822 0.062 Uiso 1 1 calc GR . . . . H4C H 0.903480 0.738966 0.313751 0.062 Uiso 1 1 calc GR . . . . C8 C 0.1651(4) 0.7595(2) 0.1216(3) 0.0436(7) Uani 1 1 d . . . . . H8A H 0.058995 0.738251 0.109327 0.065 Uiso 1 1 calc GR . . . . H8B H 0.161022 0.796787 0.059349 0.065 Uiso 1 1 calc GR . . . . H8C H 0.203207 0.786804 0.196569 0.065 Uiso 1 1 calc GR . . . . C2 C 0.8152(4) 0.6112(2) 0.4818(3) 0.0440(8) Uani 1 1 d . . . . . H2A H 0.920189 0.614173 0.473588 0.066 Uiso 1 1 calc GR . . . . H2B H 0.817908 0.573456 0.543304 0.066 Uiso 1 1 calc GR . . . . H2C H 0.785123 0.663516 0.501962 0.066 Uiso 1 1 calc GR . . . . C1 C 0.7615(4) 0.48742(19) 0.3001(3) 0.0436(7) Uani 1 1 d . . . . . H1A H 0.686969 0.462405 0.231129 0.065 Uiso 1 1 calc GR . . . . H1B H 0.790207 0.449734 0.364767 0.065 Uiso 1 1 calc GR . . . . H1C H 0.856919 0.503483 0.283669 0.065 Uiso 1 1 calc GR . . . . C7 C 0.2438(5) 0.6351(2) -0.0292(3) 0.0541(9) Uani 1 1 d . . . . . H7A H 0.312433 0.590269 -0.030748 0.081 Uiso 1 1 calc GR . . . . H7B H 0.254291 0.676091 -0.082855 0.081 Uiso 1 1 calc GR . . . . H7C H 0.133533 0.617210 -0.052857 0.081 Uiso 1 1 calc GR . . . . C3 C 0.7115(4) 0.6383(2) 0.0750(3) 0.0469(7) Uani 1 1 d . . . . . H3A H 0.818989 0.616567 0.101957 0.070 Uiso 1 1 calc GR . . . . H3B H 0.705451 0.681582 0.020343 0.070 Uiso 1 1 calc GR . . . . H3C H 0.636239 0.596733 0.036271 0.070 Uiso 1 1 calc GR . . . . 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 Rb1 0.0347(2) 0.0375(2) 0.0375(2) -0.00084(9) 0.01646(15) -0.00087(10) Si3 0.0271(4) 0.0372(4) 0.0342(4) 0.0011(3) 0.0137(3) -0.0001(3) Si1 0.0268(4) 0.0373(4) 0.0349(4) 0.0016(3) 0.0145(3) 0.0008(3) Si4 0.0301(4) 0.0393(4) 0.0346(4) 0.0025(3) 0.0127(3) 0.0000(3) Si2 0.0310(4) 0.0391(4) 0.0390(4) 0.0025(3) 0.0182(3) 0.0005(3) O1 0.0337(10) 0.0377(11) 0.0464(11) 0.0055(8) 0.0179(9) 0.0000(8) N1 0.0281(11) 0.0388(13) 0.0350(12) 0.0044(9) 0.0130(10) 0.0004(10) C6 0.0332(16) 0.056(2) 0.0392(17) 0.0036(12) 0.0171(14) 0.0045(13) C5 0.0411(16) 0.0423(17) 0.0438(16) 0.0007(12) 0.0106(14) -0.0057(13) C4 0.0367(15) 0.0423(17) 0.0484(16) 0.0039(13) 0.0192(14) -0.0008(13) C8 0.0379(16) 0.0456(18) 0.0519(17) 0.0121(14) 0.0213(14) 0.0074(14) C2 0.0333(16) 0.059(2) 0.0423(18) 0.0014(13) 0.0165(15) -0.0059(13) C1 0.0412(16) 0.0414(17) 0.0574(19) 0.0020(13) 0.0289(15) 0.0042(13) C7 0.067(2) 0.057(2) 0.0375(16) -0.0012(14) 0.0153(16) -0.0054(19) C3 0.0470(18) 0.057(2) 0.0438(17) 0.0024(14) 0.0253(15) 0.0036(16) loop_ _atom_type_symbol _atom_type_description _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_source C C 0.0181 0.0091 '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 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' Rb Rb -0.4688 1.6079 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' Si Si 0.2541 0.3302 '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 N1 Rb1 O1 150.08(6) 3_666 4_576 ? N1 Rb1 O1 123.00(6) . 4_576 ? N1 Rb1 N1 86.72(6) . 3_666 ? Si4 Si3 Rb1 146.34(3) . 3_666 ? N1 Si3 Rb1 47.45(9) . 3_666 ? N1 Si3 Si4 114.12(9) . . ? N1 Si3 C6 111.39(14) . . ? N1 Si3 C5 114.74(14) . . ? C6 Si3 Rb1 107.36(10) . 3_666 ? C6 Si3 Si4 105.92(10) . . ? C5 Si3 Rb1 70.35(10) . 3_666 ? C5 Si3 Si4 106.68(10) . . ? C5 Si3 C6 103.03(15) . . ? Si2 Si1 Rb1 148.99(3) . 3_666 ? N1 Si1 Rb1 49.71(9) . 3_666 ? N1 Si1 Si2 113.99(9) . . ? N1 Si1 C2 111.72(14) . . ? N1 Si1 C1 113.91(14) . . ? C2 Si1 Rb1 104.88(10) . 3_666 ? C2 Si1 Si2 105.97(11) . . ? C2 Si1 C1 103.75(16) . . ? C1 Si1 Rb1 68.53(10) . 3_666 ? C1 Si1 Si2 106.68(10) . . ? Si3 Si4 Rb1 141.26(3) . 4_575 ? O1 Si4 Rb1 40.01(7) . 4_575 ? O1 Si4 Si3 110.75(8) . . ? O1 Si4 C8 105.41(13) . . ? O1 Si4 C7 107.89(15) . . ? C8 Si4 Rb1 69.59(10) . 4_575 ? C8 Si4 Si3 111.52(10) . . ? C7 Si4 Rb1 102.64(12) . 4_575 ? C7 Si4 Si3 112.70(12) . . ? C7 Si4 C8 108.23(17) . . ? Si1 Si2 Rb1 144.88(3) . 4_575 ? O1 Si2 Rb1 45.34(7) . 4_575 ? O1 Si2 Si1 110.67(8) . . ? O1 Si2 C4 105.17(13) . . ? O1 Si2 C3 107.31(14) . . ? C4 Si2 Rb1 64.94(10) . 4_575 ? C4 Si2 Si1 112.01(10) . . ? C3 Si2 Rb1 100.19(11) . 4_575 ? C3 Si2 Si1 113.09(12) . . ? C3 Si2 C4 108.18(15) . . ? Si4 O1 Rb1 119.16(10) . 4_575 ? Si4 O1 Si2 129.18(13) . . ? Si2 O1 Rb1 111.44(9) . 4_575 ? Rb1 N1 Rb1 93.28(6) . 3_666 ? Si3 N1 Rb1 107.87(11) . 3_666 ? Si3 N1 Rb1 108.04(11) . . ? Si3 N1 Si1 129.27(14) . . ? Si1 N1 Rb1 104.52(11) . 3_666 ? Si1 N1 Rb1 107.91(11) . . ? Si3 C6 H6A 109.5 . . ? Si3 C6 H6B 109.5 . . ? Si3 C6 H6C 109.5 . . ? H6A C6 H6B 109.5 . . ? H6A C6 H6C 109.5 . . ? H6B C6 H6C 109.5 . . ? Rb1 C5 H5A 166.1 3_666 . ? Rb1 C5 H5B 57.0 3_666 . ? Rb1 C5 H5C 75.0 3_666 . ? Si3 C5 Rb1 80.34(10) . 3_666 ? Si3 C5 H5A 109.5 . . ? Si3 C5 H5B 109.5 . . ? Si3 C5 H5C 109.5 . . ? H5A C5 H5B 109.5 . . ? H5A C5 H5C 109.5 . . ? H5B C5 H5C 109.5 . . ? Rb1 C4 H4A 72.8 4_575 . ? Rb1 C4 H4B 53.6 4_575 . ? Rb1 C4 H4C 160.7 4_575 . ? Si2 C4 Rb1 86.84(11) . 4_575 ? Si2 C4 H4A 109.5 . . ? Si2 C4 H4B 109.5 . . ? Si2 C4 H4C 109.5 . . ? H4A C4 H4B 109.5 . . ? H4A C4 H4C 109.5 . . ? H4B C4 H4C 109.5 . . ? Si4 C8 H8A 109.5 . . ? Si4 C8 H8B 109.5 . . ? Si4 C8 H8C 109.5 . . ? H8A C8 H8B 109.5 . . ? H8A C8 H8C 109.5 . . ? H8B C8 H8C 109.5 . . ? Si1 C2 H2A 109.5 . . ? Si1 C2 H2B 109.5 . . ? Si1 C2 H2C 109.5 . . ? H2A C2 H2B 109.5 . . ? H2A C2 H2C 109.5 . . ? H2B C2 H2C 109.5 . . ? Rb1 C1 H1A 77.5 3_666 . ? Rb1 C1 H1B 53.7 3_666 . ? Rb1 C1 H1C 163.0 3_666 . ? Si1 C1 Rb1 81.51(10) . 3_666 ? Si1 C1 H1A 109.5 . . ? Si1 C1 H1B 109.5 . . ? Si1 C1 H1C 109.5 . . ? H1A C1 H1B 109.5 . . ? H1A C1 H1C 109.5 . . ? H1B C1 H1C 109.5 . . ? Si4 C7 H7A 109.5 . . ? Si4 C7 H7B 109.5 . . ? Si4 C7 H7C 109.5 . . ? H7A C7 H7B 109.5 . . ? H7A C7 H7C 109.5 . . ? H7B C7 H7C 109.5 . . ? Si2 C3 H3A 109.5 . . ? Si2 C3 H3B 109.5 . . ? Si2 C3 H3C 109.5 . . ? H3A C3 H3B 109.5 . . ? H3A C3 H3C 109.5 . . ? H3B C3 H3C 109.5 . . ? 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 Rb1 O1 3.025(2) 4_576 ? Rb1 N1 2.933(2) . ? Rb1 N1 2.948(2) 3_666 ? Si3 Si4 2.3683(11) . ? Si3 N1 1.671(2) . ? Si3 C6 1.899(3) . ? Si3 C5 1.891(3) . ? Si1 Si2 2.3732(10) . ? Si1 N1 1.680(2) . ? Si1 C2 1.888(4) . ? Si1 C1 1.889(3) . ? Si4 O1 1.673(2) . ? Si4 C8 1.873(3) . ? Si4 C7 1.868(3) . ? Si2 O1 1.677(2) . ? Si2 C4 1.875(3) . ? Si2 C3 1.874(3) . ? C6 H6A 0.9800 . ? C6 H6B 0.9800 . ? C6 H6C 0.9800 . ? C5 H5A 0.9800 . ? C5 H5B 0.9800 . ? C5 H5C 0.9800 . ? C4 H4A 0.9800 . ? C4 H4B 0.9800 . ? C4 H4C 0.9800 . ? C8 H8A 0.9800 . ? C8 H8B 0.9800 . ? C8 H8C 0.9800 . ? C2 H2A 0.9800 . ? C2 H2B 0.9800 . ? C2 H2C 0.9800 . ? C1 H1A 0.9800 . ? C1 H1B 0.9800 . ? C1 H1C 0.9800 . ? C7 H7A 0.9800 . ? C7 H7B 0.9800 . ? C7 H7C 0.9800 . ? C3 H3A 0.9800 . ? C3 H3B 0.9800 . ? C3 H3C 0.9800 . ?