#------------------------------------------------------------------------------ #$Date: 2020-06-05 13:53:38 +0300 (Fri, 05 Jun 2020) $ #$Revision: 252808 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/55/78/1557845.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_1557845 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 Cs N O Si4' _chemical_formula_sum 'C8 H24 Cs N O Si4' _chemical_formula_weight 395.55 _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 iterative _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 110.183(3) _cell_angle_gamma 90 _cell_formula_units_Z 4 _cell_length_a 8.9537(3) _cell_length_b 17.4898(5) _cell_length_c 12.2613(4) _cell_measurement_reflns_used 19085 _cell_measurement_temperature 100.0 _cell_measurement_theta_max 72.480 _cell_measurement_theta_min 4.599 _cell_volume 1802.20(10) _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 'olex2.solve (Bourhis et al., 2015)' _diffrn_ambient_temperature 100.0 _diffrn_measured_fraction_theta_full 0.999 _diffrn_measured_fraction_theta_max 0.999 _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 0.1412 _diffrn_reflns_av_unetI/netI 0.0878 _diffrn_reflns_Laue_measured_fraction_full 0.999 _diffrn_reflns_Laue_measured_fraction_max 0.999 _diffrn_reflns_limit_h_max 11 _diffrn_reflns_limit_h_min -10 _diffrn_reflns_limit_k_max 20 _diffrn_reflns_limit_k_min -21 _diffrn_reflns_limit_l_max 15 _diffrn_reflns_limit_l_min -11 _diffrn_reflns_number 19085 _diffrn_reflns_point_group_measured_fraction_full 0.999 _diffrn_reflns_point_group_measured_fraction_max 0.999 _diffrn_reflns_theta_full 67.686 _diffrn_reflns_theta_max 72.480 _diffrn_reflns_theta_min 4.599 _exptl_absorpt_coefficient_mu 18.442 _exptl_absorpt_correction_T_max 0.0699 _exptl_absorpt_correction_T_min 0.0062 _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 1.458 _exptl_crystal_description block _exptl_crystal_F_000 792 _exptl_crystal_size_max 0.057 _exptl_crystal_size_mid 0.023 _exptl_crystal_size_min 0.0083 _exptl_crystal_size_rad 0.079 _refine_diff_density_max 1.846 _refine_diff_density_min -1.624 _refine_diff_density_rms 0.215 _refine_ls_extinction_coef 0.0019(3) _refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^ _refine_ls_extinction_method 'SHELXL-2016/6 (Sheldrick 2016)' _refine_ls_goodness_of_fit_ref 0.948 _refine_ls_hydrogen_treatment constr _refine_ls_matrix_type full _refine_ls_number_parameters 145 _refine_ls_number_reflns 3569 _refine_ls_number_restraints 0 _refine_ls_restrained_S_all 0.948 _refine_ls_R_factor_all 0.1115 _refine_ls_R_factor_gt 0.0932 _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^)+(0.1612P)^2^] where P=(Fo^2^+2Fc^2^)/3' _refine_ls_weighting_scheme calc _refine_ls_wR_factor_gt 0.2423 _refine_ls_wR_factor_ref 0.2507 _reflns_Friedel_coverage 0.000 _reflns_number_gt 2276 _reflns_number_total 3569 _reflns_threshold_expression 'I > 2\s(I)' _cod_data_source_file d0dt01060j2.cif _cod_data_source_block mj375 _cod_depositor_comments 'Adding full bibliography for 1557842--1557846.cif.' _cod_database_code 1557845 _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 0.862 _shelx_estimated_absorpt_t_min 0.420 _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), C2(H2A,H2B,H2C), C8(H8A,H8B,H8C), C5(H5A,H5B,H5C), C4(H4A, H4B,H4C), C3(H3A,H3B,H3C), C1(H1A,H1B,H1C), C7(H7A,H7B,H7C) ; _shelx_res_file ; TITL mj375_a.res in P2(1)/c mj375.res created by SHELXL-2016/6 at 09:26:55 on 04-Jul-2019 REM Old TITL MJ375 REM SHELXT solution in P2(1)/c REM R1 0.133, Rweak 0.006, Alpha 0.022, Orientation as input REM Formula found by SHELXT: C8 Si4 O2 Cs CELL 1.54186 8.9537 17.4898 12.2613 90 110.183 90 ZERR 4 0.0003 0.0005 0.0004 0 0.003 0 LATT 1 SYMM -X,0.5+Y,0.5-Z SFAC C H Cs N O Si UNIT 32 96 4 4 4 16 EQIV $1 1-X,1-Y,1-Z EQIV $2 +X,0.5-Y,-0.5+Z L.S. 5 0 0 PLAN 20 SIZE 0.0083 0.023 0.057 TEMP -173.15 FREE Cs1 C5_$1 FREE Cs1 Si3_$1 FREE Cs1 Si1_$1 FREE Cs1 C1_$1 FREE Cs1 C8_$2 FREE Cs1 C4_$2 FREE Cs1 Cs1_$1 FREE Cs1 C6 FREE Cs1 Si3 FREE Cs1 Si1 FREE Cs1 C2 FREE Cs1 Si4_$2 FREE Cs1 Si2_$2 list 4 fmap 2 53 acta OMIT 0 145 REM REM REM WGHT 0.161200 EXTI 0.001869 FVAR 0.42612 CS1 3 0.495216 0.388532 0.406446 11.00000 0.06489 0.06092 = 0.06100 -0.00106 0.01340 -0.00055 SI1 6 0.331334 0.422352 0.662625 11.00000 0.05345 0.06242 = 0.06063 0.00260 0.01261 -0.00039 SI3 6 0.692541 0.419468 0.742689 11.00000 0.05772 0.06070 = 0.05554 0.00262 0.00918 0.00089 SI2 6 0.335935 0.324907 0.799473 11.00000 0.05729 0.06515 = 0.06364 0.00644 0.01706 0.00309 SI4 6 0.698652 0.323738 0.881924 11.00000 0.05932 0.06717 = 0.05924 0.00434 0.01119 -0.00026 O1 5 0.517617 0.285009 0.851526 11.00000 0.05186 0.06255 = 0.06612 0.00903 0.00850 -0.00062 N1 4 0.509313 0.438889 0.649711 11.00000 0.04629 0.06191 = 0.06215 0.00109 0.01594 -0.00329 C6 1 0.829998 0.384644 0.666853 11.00000 0.05306 0.08258 = 0.06720 -0.00080 0.01567 -0.00020 AFIX 137 H6A 2 0.937788 0.379200 0.723502 11.00000 -1.50000 H6B 2 0.831028 0.421581 0.607015 11.00000 -1.50000 H6C 2 0.792775 0.335013 0.630541 11.00000 -1.50000 AFIX 0 C2 1 0.177394 0.390858 0.521215 11.00000 0.06278 0.08179 = 0.06800 -0.00554 0.00672 -0.00858 AFIX 137 H2A 2 0.204858 0.339930 0.500630 11.00000 -1.50000 H2B 2 0.174753 0.427215 0.459759 11.00000 -1.50000 H2C 2 0.072619 0.389074 0.529813 11.00000 -1.50000 AFIX 0 C8 1 0.832327 0.242648 0.878848 11.00000 0.05866 0.07420 = 0.09030 0.00954 0.02547 0.01048 AFIX 137 H8A 2 0.789287 0.215912 0.804258 11.00000 -1.50000 H8B 2 0.839356 0.207058 0.942164 11.00000 -1.50000 H8C 2 0.938596 0.262352 0.888506 11.00000 -1.50000 AFIX 0 C5 1 0.806736 0.505214 0.826689 11.00000 0.07499 0.06870 = 0.07371 -0.00894 0.01287 -0.00322 AFIX 137 H5A 2 0.747275 0.528056 0.872252 11.00000 -1.50000 H5B 2 0.820249 0.543165 0.772025 11.00000 -1.50000 H5C 2 0.911434 0.488535 0.879004 11.00000 -1.50000 AFIX 0 C4 1 0.198344 0.244900 0.732490 11.00000 0.06080 0.06006 = 0.07305 -0.00384 0.00495 -0.01081 AFIX 137 H4A 2 0.095710 0.265588 0.682779 11.00000 -1.50000 H4B 2 0.182724 0.213361 0.793744 11.00000 -1.50000 H4C 2 0.244024 0.213553 0.685617 11.00000 -1.50000 AFIX 0 C3 1 0.288671 0.360488 0.928082 11.00000 0.07674 0.10053 = 0.05020 0.00181 0.01519 0.00547 AFIX 137 H3A 2 0.354991 0.405106 0.961268 11.00000 -1.50000 H3B 2 0.310159 0.319994 0.986740 11.00000 -1.50000 H3C 2 0.176152 0.374968 0.903479 11.00000 -1.50000 AFIX 0 C1 1 0.237409 0.509226 0.704327 11.00000 0.06838 0.08145 = 0.08298 0.00223 0.02721 0.01220 AFIX 137 H1A 2 0.142041 0.493741 0.720643 11.00000 -1.50000 H1B 2 0.207947 0.546083 0.640190 11.00000 -1.50000 H1C 2 0.313551 0.532889 0.773764 11.00000 -1.50000 AFIX 0 C7 1 0.761954 0.360714 1.033370 11.00000 0.09926 0.07869 = 0.06737 -0.01028 0.02754 -0.01126 AFIX 137 H7A 2 0.870009 0.381441 1.055207 11.00000 -1.50000 H7B 2 0.760324 0.319001 1.086313 11.00000 -1.50000 H7C 2 0.688873 0.401177 1.038365 11.00000 -1.50000 AFIX 0 HKLF 4 REM mj375_a.res in P2(1)/c REM R1 = 0.0932 for 2276 Fo > 4sig(Fo) and 0.1115 for all 3569 data REM 145 parameters refined using 0 restraints END WGHT 0.1613 0.0000 REM Highest difference peak 1.846, deepest hole -1.624, 1-sigma level 0.215 Q1 1 0.4423 0.4796 0.4339 11.00000 0.05 1.45 Q2 1 0.5378 0.1989 0.8644 11.00000 0.05 1.29 Q3 1 0.4338 0.5194 0.6217 11.00000 0.05 1.27 Q4 1 0.4433 0.2977 0.4404 11.00000 0.05 1.12 Q5 1 0.4181 0.2972 0.3858 11.00000 0.05 1.04 Q6 1 0.4256 0.3193 0.4750 11.00000 0.05 0.94 Q7 1 0.3166 0.3992 0.4393 11.00000 0.05 0.90 Q8 1 0.5187 0.3857 0.7763 11.00000 0.05 0.89 Q9 1 0.6324 0.3866 0.5623 11.00000 0.05 0.82 Q10 1 0.4726 0.4591 0.4994 11.00000 0.05 0.82 Q11 1 0.6242 0.3372 0.3392 11.00000 0.05 0.77 Q12 1 0.6873 0.4256 0.5042 11.00000 0.05 0.74 Q13 1 0.3244 0.1574 0.8082 11.00000 0.05 0.72 Q14 1 0.3162 0.5939 0.6205 11.00000 0.05 0.68 Q15 1 0.4025 0.1557 0.7693 11.00000 0.05 0.68 Q16 1 0.6487 0.6017 0.7421 11.00000 0.05 0.66 Q17 1 0.6589 0.4625 0.6134 11.00000 0.05 0.65 Q18 1 0.4085 0.3852 0.5392 11.00000 0.05 0.64 Q19 1 0.6843 0.1393 0.8983 11.00000 0.05 0.61 Q20 1 0.3560 0.2601 0.8953 11.00000 0.05 0.60 ; _shelx_res_checksum 13518 _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 Cs1 Cs 0.49522(8) 0.38853(4) 0.40645(6) 0.0644(3) Uani 1 1 d . . . . . Si1 Si 0.3313(4) 0.42235(17) 0.6626(3) 0.0607(7) Uani 1 1 d . . . . . Si3 Si 0.6925(4) 0.41947(17) 0.7427(3) 0.0607(7) Uani 1 1 d . . . . . Si2 Si 0.3359(4) 0.32491(18) 0.7995(3) 0.0630(8) Uani 1 1 d . . . . . Si4 Si 0.6987(4) 0.32374(19) 0.8819(3) 0.0643(8) Uani 1 1 d . . . . . O1 O 0.5176(8) 0.2850(4) 0.8515(7) 0.0633(19) Uani 1 1 d . . . . . N1 N 0.5093(10) 0.4389(5) 0.6497(8) 0.058(2) Uani 1 1 d . . . . . C6 C 0.8300(14) 0.3846(7) 0.6669(12) 0.069(3) Uani 1 1 d . . . . . H6A H 0.937788 0.379200 0.723502 0.103 Uiso 1 1 calc GR . . . . H6B H 0.831028 0.421581 0.607015 0.103 Uiso 1 1 calc GR . . . . H6C H 0.792775 0.335013 0.630541 0.103 Uiso 1 1 calc GR . . . . C2 C 0.1774(15) 0.3909(7) 0.5212(12) 0.075(3) Uani 1 1 d . . . . . H2A H 0.204858 0.339930 0.500630 0.112 Uiso 1 1 calc GR . . . . H2B H 0.174753 0.427215 0.459759 0.112 Uiso 1 1 calc GR . . . . H2C H 0.072619 0.389074 0.529813 0.112 Uiso 1 1 calc GR . . . . C8 C 0.8323(14) 0.2426(7) 0.8788(13) 0.074(3) Uani 1 1 d . . . . . H8A H 0.789287 0.215912 0.804258 0.112 Uiso 1 1 calc GR . . . . H8B H 0.839356 0.207058 0.942164 0.112 Uiso 1 1 calc GR . . . . H8C H 0.938596 0.262352 0.888506 0.112 Uiso 1 1 calc GR . . . . C5 C 0.8067(15) 0.5052(7) 0.8267(11) 0.076(3) Uani 1 1 d . . . . . H5A H 0.747275 0.528056 0.872252 0.114 Uiso 1 1 calc GR . . . . H5B H 0.820249 0.543165 0.772025 0.114 Uiso 1 1 calc GR . . . . H5C H 0.911434 0.488535 0.879004 0.114 Uiso 1 1 calc GR . . . . C4 C 0.1983(13) 0.2449(6) 0.7325(12) 0.069(3) Uani 1 1 d . . . . . H4A H 0.095710 0.265588 0.682779 0.104 Uiso 1 1 calc GR . . . . H4B H 0.182724 0.213361 0.793744 0.104 Uiso 1 1 calc GR . . . . H4C H 0.244024 0.213553 0.685617 0.104 Uiso 1 1 calc GR . . . . C3 C 0.2887(16) 0.3605(9) 0.9281(11) 0.078(3) Uani 1 1 d . . . . . H3A H 0.354991 0.405106 0.961268 0.116 Uiso 1 1 calc GR . . . . H3B H 0.310159 0.319994 0.986740 0.116 Uiso 1 1 calc GR . . . . H3C H 0.176152 0.374968 0.903479 0.116 Uiso 1 1 calc GR . . . . C1 C 0.2374(15) 0.5092(8) 0.7043(12) 0.077(3) Uani 1 1 d . . . . . H1A H 0.142041 0.493741 0.720643 0.116 Uiso 1 1 calc GR . . . . H1B H 0.207947 0.546083 0.640190 0.116 Uiso 1 1 calc GR . . . . H1C H 0.313551 0.532889 0.773764 0.116 Uiso 1 1 calc GR . . . . C7 C 0.7620(19) 0.3607(8) 1.0334(12) 0.082(4) Uani 1 1 d . . . . . H7A H 0.870009 0.381441 1.055207 0.123 Uiso 1 1 calc GR . . . . H7B H 0.760324 0.319001 1.086313 0.123 Uiso 1 1 calc GR . . . . H7C H 0.688873 0.401177 1.038365 0.123 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 Cs1 0.0649(5) 0.0609(4) 0.0610(5) -0.0011(3) 0.0134(3) -0.0006(3) Si1 0.0534(15) 0.0624(15) 0.0606(17) 0.0026(13) 0.0126(14) -0.0004(12) Si3 0.0577(15) 0.0607(15) 0.0555(16) 0.0026(12) 0.0092(14) 0.0009(12) Si2 0.0573(16) 0.0652(16) 0.0636(19) 0.0064(14) 0.0171(14) 0.0031(13) Si4 0.0593(17) 0.0672(17) 0.0592(18) 0.0043(13) 0.0112(14) -0.0003(13) O1 0.052(4) 0.063(4) 0.066(5) 0.009(3) 0.008(4) -0.001(3) N1 0.046(4) 0.062(4) 0.062(5) 0.001(4) 0.016(4) -0.003(3) C6 0.053(6) 0.083(8) 0.067(7) -0.001(6) 0.016(5) 0.000(5) C2 0.063(7) 0.082(8) 0.068(8) -0.006(6) 0.007(6) -0.009(5) C8 0.059(6) 0.074(7) 0.090(9) 0.010(6) 0.025(6) 0.010(5) C5 0.075(7) 0.069(7) 0.074(8) -0.009(6) 0.013(6) -0.003(6) C4 0.061(6) 0.060(6) 0.073(7) -0.004(5) 0.005(6) -0.011(5) C3 0.077(8) 0.101(9) 0.050(6) 0.002(6) 0.015(6) 0.005(7) C1 0.068(7) 0.081(8) 0.083(9) 0.002(7) 0.027(7) 0.012(6) C7 0.099(10) 0.079(8) 0.067(8) -0.010(6) 0.028(8) -0.011(7) 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' Cs Cs -0.7457 7.9052 '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' 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 Cs1 O1 120.2(2) . 4_565 ? N1 Cs1 O1 153.5(3) 3_666 4_565 ? N1 Cs1 N1 85.9(3) . 3_666 ? Si2 Si1 Cs1 148.75(14) . 3_666 ? N1 Si1 Cs1 50.7(3) . 3_666 ? N1 Si1 Si2 113.8(4) . . ? N1 Si1 C2 112.3(6) . . ? N1 Si1 C1 114.3(6) . . ? C2 Si1 Cs1 105.6(4) . 3_666 ? C2 Si1 Si2 105.5(4) . . ? C2 Si1 C1 103.4(6) . . ? C1 Si1 Cs1 67.8(5) . 3_666 ? C1 Si1 Si2 106.6(5) . . ? Si4 Si3 Cs1 147.03(15) . 3_666 ? N1 Si3 Cs1 49.3(3) . 3_666 ? N1 Si3 Si4 113.9(4) . . ? N1 Si3 C6 112.5(5) . . ? N1 Si3 C5 115.1(5) . . ? C6 Si3 Cs1 107.2(4) . 3_666 ? C6 Si3 Si4 105.7(4) . . ? C6 Si3 C5 101.6(6) . . ? C5 Si3 Cs1 69.0(4) . 3_666 ? C5 Si3 Si4 106.9(5) . . ? Si1 Si2 Cs1 143.73(15) . 4_566 ? O1 Si2 Cs1 46.2(3) . 4_566 ? O1 Si2 Si1 110.1(3) . . ? O1 Si2 C4 105.2(5) . . ? O1 Si2 C3 106.8(5) . . ? C4 Si2 Cs1 63.6(4) . 4_566 ? C4 Si2 Si1 112.3(5) . . ? C4 Si2 C3 108.3(7) . . ? C3 Si2 Cs1 101.0(5) . 4_566 ? C3 Si2 Si1 113.6(5) . . ? Si3 Si4 Cs1 140.54(13) . 4_566 ? O1 Si4 Cs1 41.2(3) . 4_566 ? O1 Si4 Si3 110.1(3) . . ? O1 Si4 C8 105.5(5) . . ? O1 Si4 C7 107.5(6) . . ? C8 Si4 Cs1 68.0(4) . 4_566 ? C8 Si4 Si3 112.1(5) . . ? C7 Si4 Cs1 103.1(5) . 4_566 ? C7 Si4 Si3 113.3(5) . . ? C7 Si4 C8 107.9(7) . . ? Si2 O1 Cs1 111.0(3) . 4_566 ? Si4 O1 Cs1 118.2(3) . 4_566 ? Si4 O1 Si2 130.7(5) . . ? Cs1 N1 Cs1 94.1(3) . 3_666 ? Si1 N1 Cs1 108.6(4) . . ? Si1 N1 Cs1 104.4(4) . 3_666 ? Si3 N1 Cs1 106.5(4) . 3_666 ? Si3 N1 Cs1 107.7(4) . . ? Si3 N1 Si1 129.6(6) . . ? Si4 C8 Cs1 85.7(4) . 4_566 ? Si3 C5 Cs1 82.2(4) . 3_666 ? Si2 C4 Cs1 89.1(4) . 4_566 ? Si1 C1 Cs1 83.2(4) . 3_666 ? 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 Cs1 O1 3.130(7) 4_565 ? Cs1 N1 3.071(10) . ? Cs1 N1 3.093(9) 3_666 ? Si1 Si2 2.382(5) . ? Si1 N1 1.680(9) . ? Si1 C2 1.887(13) . ? Si1 C1 1.891(13) . ? Si3 Si4 2.378(5) . ? Si3 N1 1.678(9) . ? Si3 C6 1.881(13) . ? Si3 C5 1.905(12) . ? Si2 O1 1.680(7) . ? Si2 C4 1.858(11) . ? Si2 C3 1.874(14) . ? Si4 O1 1.676(7) . ? Si4 C8 1.865(12) . ? Si4 C7 1.860(14) . ?