# Electronic Supplementary Material (ESI) for ChemComm.
# This journal is © The Royal Society of Chemistry 2022

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
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data_alrb
_database_code_depnum_ccdc_archive 'CCDC 2111090'
loop_
_audit_author_name
_audit_author_address
'Alan Kennedy'
;University of Strathclyde
United Kingdom
;
_audit_update_record             
;
2021-09-21 deposited with the CCDC.	2021-12-20 downloaded from the CCDC.
;

#---------------------------------------------------------
#----------- COMPOUND 1 ----------------------------------
#---------------------------------------------------------



_audit_creation_date             2021-08-25
_audit_creation_method           
;
Olex2 1.3
(compiled 2020.11.12 svn.r5f609507 for OlexSys, GUI svn.r6272)
;
_shelx_SHELXL_version_number     2014/7
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C59 H99 Al2 N4 O2 Rb2 Si4'
_chemical_formula_weight         1233.68
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
Al Al 0.2130 0.2455 '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'
O O 0.0492 0.0322 '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'
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'

_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.
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_H-M_alt        'I 1 2/a 1'
_space_group_name_Hall           '-I 2ya'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, y, -z'
'x+1/2, y+1/2, z+1/2'
'-x+1, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y, z'
'-x+1/2, -y+1/2, -z+1/2'
'x, -y+1/2, z+1/2'

_cell_length_a                   23.3817(2)
_cell_length_b                   17.46640(10)
_cell_length_c                   36.1000(3)
_cell_angle_alpha                90
_cell_angle_beta                 108.3720(10)
_cell_angle_gamma                90
_cell_volume                     13991.6(2)
_cell_formula_units_Z            8

_cell_measurement_temperature    100(2)

_cell_measurement_reflns_used    52526
_cell_measurement_theta_min      2.5
_cell_measurement_theta_max      72.5

_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    3.007
_exptl_absorpt_correction_T_min  0.0926
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.40.67a (Rigaku Oxford Diffraction, 2019)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;

_exptl_crystal_colour            'clear yellowish yellow'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   yellowish
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    1.171
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             5224
_exptl_crystal_size_max          0.45
_exptl_crystal_size_mid          0.40
_exptl_crystal_size_min          0.29
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0689
_diffrn_reflns_av_unetI/netI     0.0359
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.995
_diffrn_reflns_limit_h_max       28
_diffrn_reflns_limit_h_min       -28
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       44
_diffrn_reflns_limit_l_min       -44
_diffrn_reflns_number            75098
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.995
_diffrn_reflns_theta_full        70.000
_diffrn_reflns_theta_max         72.646
_diffrn_reflns_theta_min         2.579
_diffrn_ambient_temperature      100(2)
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device_type  'Rigaku Synergy-i'
_diffrn_measurement_method       'omega scans'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_source                   ?
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                13196
_reflns_number_total             13840
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       CrysalisPro
_computing_data_collection       CrysalisPro

_computing_data_reduction        CrysalisPro

_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'olex2.refine 1.3 (Bourhis et al., 2015)'
_computing_structure_solution    'olex2.solve 1.3 (Bourhis et al., 2015)'
_refine_diff_density_max         0.857
_refine_diff_density_min         -0.968
_refine_diff_density_rms         0.090
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.090
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     683
_refine_ls_number_reflns         13840
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0462
_refine_ls_R_factor_gt           0.0444
_refine_ls_restrained_S_all      1.090
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0664P)²+25.6188P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1183
_refine_ls_wR_factor_ref         0.1198
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Ternary CH refined with riding coordinates:
 C7(H7), C10(H10), C21(H21), C24(H24), C35(H35), C38(H38), C49(H49), C54(H54)
2.b Secondary CH2 refined with riding coordinates:
 C60(H60A,H60B), C61(H61A,H61B)
2.c Aromatic/amide H refined with riding coordinates:
 C3(H3), C4(H4), C5(H5), C17(H17), C18(H18), C19(H19), C31(H31), C32(H32),
 C33(H33), C45(H45), C46(H46), C47(H47)
2.d Idealised Me refined as rotating group:
 C8(H8A,H8B,H8C), C9(H9A,H9B,H9C), C11(H11A,H11B,H11C), C12(H12A,H12B,H12C),
 C13(H13A,H13B,H13C), C14(H14A,H14B,H14C), C22(H22A,H22B,H22C), C23(H23A,H23B,
 H23C), C25(H25A,H25B,H25C), C26(H26A,H26B,H26C), C27(H27A,H27B,H27C), C28(H28A,
 H28B,H28C), C36(H36A,H36B,H36C), C37(H37A,H37B,H37C), C39(H39A,H39B,H39C),
 C40(H40A,H40B,H40C), C41(H41A,H41B,H41C), C42(H42A,H42B,H42C), C50(H50A,H50B,
 H50C), C51(H51A,H51B,H51C), C56(H56A,H56B,H56C), C57(H57A,H57B,H57C), C58(H58A,
 H58B,H58C), C59(H59A,H59B,H59C), C62(H62A,H62B,H62C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     iterative
_atom_sites_solution_secondary   ?
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
Al1 Al 0.62976(3) 0.87226(4) 0.61232(2) 0.01846(14) Uani 1 1 d . . . . .
Al2 Al 0.47973(3) 0.62452(4) 0.60900(2) 0.01843(14) Uani 1 1 d . . . . .
Rb1 Rb 0.64137(2) 0.65903(2) 0.62217(2) 0.02343(7) Uani 1 1 d . . . . .
Rb2 Rb 0.48080(2) 0.83752(2) 0.62572(2) 0.02460(7) Uani 1 1 d . . . . .
Si1 Si 0.72327(3) 0.94779(3) 0.57405(2) 0.01756(12) Uani 1 1 d . . . . .
Si2 Si 0.68474(3) 1.04240(3) 0.63301(2) 0.02023(13) Uani 1 1 d . . . . .
Si3 Si 0.44624(3) 0.45149(3) 0.62951(2) 0.01856(13) Uani 1 1 d . . . . .
Si4 Si 0.34913(3) 0.55086(3) 0.57492(2) 0.01818(13) Uani 1 1 d . . . . .
O1 O 0.71649(8) 1.02142(9) 0.60004(6) 0.0301(4) Uani 1 1 d . . . . .
O2 O 0.37895(7) 0.48008(9) 0.60441(6) 0.0319(4) Uani 1 1 d . . . . .
N1 N 0.69311(8) 0.87005(10) 0.59018(5) 0.0157(3) Uani 1 1 d . . . . .
N2 N 0.62977(8) 0.97495(10) 0.62967(5) 0.0174(3) Uani 1 1 d . . . . .
N3 N 0.49614(8) 0.52104(10) 0.62524(5) 0.0161(3) Uani 1 1 d . . . . .
N4 N 0.39502(8) 0.62891(10) 0.58935(5) 0.0163(3) Uani 1 1 d . . . . .
C1 C 0.71625(9) 0.79481(12) 0.58815(6) 0.0157(4) Uani 1 1 d . . . . .
C2 C 0.76328(10) 0.76589(13) 0.62069(7) 0.0198(4) Uani 1 1 d . . . . .
C3 C 0.78407(10) 0.69141(14) 0.61950(8) 0.0260(5) Uani 1 1 d . . . . .
H3 H 0.8152 0.6723 0.6414 0.031 Uiso 1 1 calc R U . . .
C4 C 0.76070(10) 0.64461(13) 0.58751(8) 0.0264(5) Uani 1 1 d . . . . .
H4 H 0.7757 0.5942 0.5872 0.032 Uiso 1 1 calc R U . . .
C5 C 0.71483(10) 0.67254(13) 0.55571(7) 0.0224(5) Uani 1 1 d . . . . .
H5 H 0.6984 0.6404 0.5337 0.027 Uiso 1 1 calc R U . . .
C6 C 0.69216(9) 0.74701(12) 0.55531(6) 0.0175(4) Uani 1 1 d . . . . .
C7 C 0.79082(11) 0.81391(14) 0.65702(7) 0.0258(5) Uani 1 1 d . . . . .
H7 H 0.7793 0.8684 0.6500 0.031 Uiso 1 1 calc R U . . .
C8 C 0.85989(12) 0.80987(17) 0.67149(9) 0.0357(6) Uani 1 1 d . . . . .
H8A H 0.8727 0.7592 0.6828 0.054 Uiso 1 1 calc R U . . .
H8B H 0.8758 0.8493 0.6914 0.054 Uiso 1 1 calc R U . . .
H8C H 0.8753 0.8185 0.6495 0.054 Uiso 1 1 calc R U . . .
C9 C 0.76541(13) 0.79121(18) 0.68965(8) 0.0372(6) Uani 1 1 d . . . . .
H9A H 0.7214 0.7965 0.6804 0.056 Uiso 1 1 calc R U . . .
H9B H 0.7823 0.8247 0.7122 0.056 Uiso 1 1 calc R U . . .
H9C H 0.7762 0.7379 0.6972 0.056 Uiso 1 1 calc R U . . .
C10 C 0.64169(10) 0.77248(12) 0.51918(6) 0.0195(4) Uani 1 1 d . . . . .
H10 H 0.6326 0.8275 0.5227 0.023 Uiso 1 1 calc R U . . .
C11 C 0.58423(11) 0.72618(15) 0.51419(8) 0.0292(5) Uani 1 1 d . . . . .
H11A H 0.5924 0.6718 0.5115 0.044 Uiso 1 1 calc R U . . .
H11B H 0.5526 0.7436 0.4908 0.044 Uiso 1 1 calc R U . . .
H11C H 0.5709 0.7335 0.5371 0.044 Uiso 1 1 calc R U . . .
C12 C 0.66034(12) 0.76609(17) 0.48238(7) 0.0326(6) Uani 1 1 d . . . . .
H12A H 0.6975 0.7952 0.4859 0.049 Uiso 1 1 calc R U . . .
H12B H 0.6283 0.7868 0.4601 0.049 Uiso 1 1 calc R U . . .
H12C H 0.6672 0.7122 0.4775 0.049 Uiso 1 1 calc R U . . .
C13 C 0.80529(11) 0.93399(14) 0.58087(8) 0.0287(5) Uani 1 1 d . . . . .
H13A H 0.8186 0.9724 0.5656 0.043 Uiso 1 1 calc R U . . .
H13B H 0.8118 0.8826 0.5721 0.043 Uiso 1 1 calc R U . . .
H13C H 0.8284 0.9398 0.6086 0.043 Uiso 1 1 calc R U . . .
C14 C 0.68381(14) 0.97470(18) 0.52238(9) 0.0426(7) Uani 1 1 d . . . . .
H14A H 0.6410 0.9836 0.5188 0.064 Uiso 1 1 calc R U . . .
H14B H 0.6879 0.9332 0.5051 0.064 Uiso 1 1 calc R U . . .
H14C H 0.7018 1.0215 0.5160 0.064 Uiso 1 1 calc R U . . .
C15 C 0.57925(9) 0.99104(12) 0.64261(7) 0.0176(4) Uani 1 1 d . . . . .
C16 C 0.58015(10) 0.97292(13) 0.68109(7) 0.0214(4) Uani 1 1 d . . . . .
C17 C 0.52849(11) 0.98497(15) 0.69199(7) 0.0267(5) Uani 1 1 d . . . . .
H17 H 0.5294 0.9728 0.7178 0.032 Uiso 1 1 calc R U . . .
C18 C 0.47592(11) 1.01433(16) 0.66585(8) 0.0312(5) Uani 1 1 d . . . . .
H18 H 0.4411 1.0220 0.6736 0.037 Uiso 1 1 calc R U . . .
C19 C 0.47511(11) 1.03213(15) 0.62840(8) 0.0272(5) Uani 1 1 d . . . . .
H19 H 0.4393 1.0523 0.6105 0.033 Uiso 1 1 calc R U . . .
C20 C 0.52548(10) 1.02119(13) 0.61623(7) 0.0222(5) Uani 1 1 d . . . . .
C21 C 0.63551(11) 0.94019(15) 0.71139(7) 0.0272(5) Uani 1 1 d . . . . .
H21 H 0.6683 0.9363 0.6991 0.033 Uiso 1 1 calc R U . . .
C22 C 0.65763(14) 0.9939(2) 0.74684(8) 0.0434(7) Uani 1 1 d . . . . .
H22A H 0.6636 1.0455 0.7380 0.065 Uiso 1 1 calc R U . . .
H22B H 0.6959 0.9748 0.7646 0.065 Uiso 1 1 calc R U . . .
H22C H 0.6275 0.9958 0.7605 0.065 Uiso 1 1 calc R U . . .
C23 C 0.62384(14) 0.85985(19) 0.72405(9) 0.0418(7) Uani 1 1 d . . . . .
H23A H 0.5919 0.8620 0.7362 0.063 Uiso 1 1 calc R U . . .
H23B H 0.6608 0.8398 0.7429 0.063 Uiso 1 1 calc R U . . .
H23C H 0.6113 0.8262 0.7012 0.063 Uiso 1 1 calc R U . . .
C24 C 0.51925(11) 1.03629(14) 0.57342(7) 0.0271(5) Uani 1 1 d . . . . .
H24 H 0.5606 1.0363 0.5708 0.032 Uiso 1 1 calc R U . . .
C25 C 0.48347(13) 0.97086(17) 0.54826(8) 0.0346(6) Uani 1 1 d . . . . .
H25A H 0.4441 0.9664 0.5523 0.052 Uiso 1 1 calc R U . . .
H25B H 0.5057 0.9228 0.5557 0.052 Uiso 1 1 calc R U . . .
H25C H 0.4777 0.9816 0.5207 0.052 Uiso 1 1 calc R U . . .
C26 C 0.48982(14) 1.11296(18) 0.55842(10) 0.0422(7) Uani 1 1 d . . . . .
H26A H 0.4472 1.1113 0.5567 0.063 Uiso 1 1 calc R U . . .
H26B H 0.4932 1.1230 0.5325 0.063 Uiso 1 1 calc R U . . .
H26C H 0.5101 1.1538 0.5764 0.063 Uiso 1 1 calc R U . . .
C27 C 0.74676(12) 1.04053(18) 0.68068(9) 0.0387(6) Uani 1 1 d . . . . .
H27A H 0.7613 0.9879 0.6866 0.058 Uiso 1 1 calc R U . . .
H27B H 0.7315 1.0594 0.7014 0.058 Uiso 1 1 calc R U . . .
H27C H 0.7799 1.0733 0.6790 0.058 Uiso 1 1 calc R U . . .
C28 C 0.65483(13) 1.14181(14) 0.62380(10) 0.0356(6) Uani 1 1 d . . . . .
H28A H 0.6885 1.1781 0.6295 0.053 Uiso 1 1 calc R U . . .
H28B H 0.6302 1.1528 0.6407 0.053 Uiso 1 1 calc R U . . .
H28C H 0.6300 1.1468 0.5964 0.053 Uiso 1 1 calc R U . . .
C29 C 0.55936(9) 0.50585(11) 0.63867(6) 0.0160(4) Uani 1 1 d . . . . .
C30 C 0.59568(10) 0.52625(13) 0.67691(6) 0.0192(4) Uani 1 1 d . . . . .
C31 C 0.65806(10) 0.51421(14) 0.68833(7) 0.0240(5) Uani 1 1 d . . . . .
H31 H 0.6820 0.5279 0.7140 0.029 Uiso 1 1 calc R U . . .
C32 C 0.68561(10) 0.48295(15) 0.66320(8) 0.0274(5) Uani 1 1 d . . . . .
H32 H 0.7279 0.4747 0.6715 0.033 Uiso 1 1 calc R U . . .
C33 C 0.65064(10) 0.46367(14) 0.62555(7) 0.0248(5) Uani 1 1 d . . . . .
H33 H 0.6695 0.4422 0.6082 0.030 Uiso 1 1 calc R U . . .
C34 C 0.58829(10) 0.47510(12) 0.61265(7) 0.0195(4) Uani 1 1 d . . . . .
C35 C 0.56936(11) 0.56315(14) 0.70619(7) 0.0242(5) Uani 1 1 d . . . . .
H35 H 0.5245 0.5636 0.6944 0.029 Uiso 1 1 calc R U . . .
C36 C 0.58491(13) 0.51768(18) 0.74453(7) 0.0350(6) Uani 1 1 d . . . . .
H36A H 0.5745 0.4637 0.7388 0.052 Uiso 1 1 calc R U . . .
H36B H 0.5620 0.5381 0.7608 0.052 Uiso 1 1 calc R U . . .
H36C H 0.6281 0.5222 0.7585 0.052 Uiso 1 1 calc R U . . .
C37 C 0.59059(12) 0.64627(15) 0.71429(8) 0.0303(5) Uani 1 1 d . . . . .
H37A H 0.6346 0.6475 0.7253 0.045 Uiso 1 1 calc R U . . .
H37B H 0.5727 0.6691 0.7329 0.045 Uiso 1 1 calc R U . . .
H37C H 0.5780 0.6754 0.6899 0.045 Uiso 1 1 calc R U . . .
C38 C 0.55380(11) 0.46037(14) 0.56969(7) 0.0245(5) Uani 1 1 d . . . . .
H38 H 0.5098 0.4601 0.5666 0.029 Uiso 1 1 calc R U . . .
C39 C 0.56949(13) 0.38397(17) 0.55473(9) 0.0390(6) Uani 1 1 d . . . . .
H39A H 0.6108 0.3860 0.5536 0.058 Uiso 1 1 calc R U . . .
H39B H 0.5415 0.3740 0.5286 0.058 Uiso 1 1 calc R U . . .
H39C H 0.5663 0.3429 0.5724 0.058 Uiso 1 1 calc R U . . .
C40 C 0.56608(12) 0.52694(17) 0.54527(8) 0.0331(6) Uani 1 1 d . . . . .
H40A H 0.5507 0.5747 0.5528 0.050 Uiso 1 1 calc R U . . .
H40B H 0.5458 0.5170 0.5175 0.050 Uiso 1 1 calc R U . . .
H40C H 0.6096 0.5315 0.5500 0.050 Uiso 1 1 calc R U . . .
C41 C 0.45940(12) 0.35588(14) 0.61082(9) 0.0334(6) Uani 1 1 d . . . . .
H41A H 0.4329 0.3180 0.6171 0.050 Uiso 1 1 calc R U . . .
H41B H 0.5015 0.3409 0.6231 0.050 Uiso 1 1 calc R U . . .
H41C H 0.4507 0.3585 0.5825 0.050 Uiso 1 1 calc R U . . .
C42 C 0.44482(15) 0.4368(2) 0.68054(9) 0.0431(7) Uani 1 1 d . . . . .
H42A H 0.4372 0.4859 0.6913 0.065 Uiso 1 1 calc R U . . .
H42B H 0.4837 0.4165 0.6967 0.065 Uiso 1 1 calc R U . . .
H42C H 0.4128 0.4005 0.6804 0.065 Uiso 1 1 calc R U . . .
C43 C 0.37089(9) 0.70371(12) 0.58976(7) 0.0179(4) Uani 1 1 d . . . . .
C44 C 0.36215(9) 0.75446(12) 0.55789(7) 0.0194(4) Uani 1 1 d . . . . .
C45 C 0.34046(11) 0.82864(13) 0.56055(8) 0.0242(5) Uani 1 1 d . . . . .
H45 H 0.3348 0.8629 0.5393 0.029 Uiso 1 1 calc R U . . .
C46 C 0.32707(11) 0.85312(14) 0.59342(8) 0.0290(5) Uani 1 1 d . . . . .
H46 H 0.3121 0.9033 0.5946 0.035 Uiso 1 1 calc R U . . .
C47 C 0.33587(11) 0.80317(14) 0.62449(8) 0.0262(5) Uani 1 1 d . . . . .
H47 H 0.3270 0.8198 0.6471 0.031 Uiso 1 1 calc R U . . .
C48 C 0.35741(10) 0.72917(13) 0.62347(7) 0.0213(4) Uani 1 1 d . . . . .
C49 C 0.37593(10) 0.73205(13) 0.52087(7) 0.0213(4) Uani 1 1 d . . . . .
H49 H 0.3887 0.6771 0.5234 0.026 Uiso 1 1 calc R U . . .
C50 C 0.42750(12) 0.77940(17) 0.51532(9) 0.0348(6) Uani 1 1 d . . . . .
H50A H 0.4168 0.8338 0.5139 0.052 Uiso 1 1 calc R U . . .
H50B H 0.4347 0.7639 0.4911 0.052 Uiso 1 1 calc R U . . .
H50C H 0.4641 0.7709 0.5374 0.052 Uiso 1 1 calc R U . . .
C51 C 0.32106(12) 0.7394(2) 0.48459(8) 0.0423(7) Uani 1 1 d . . . . .
H51A H 0.2887 0.7063 0.4872 0.063 Uiso 1 1 calc R U . . .
H51B H 0.3319 0.7240 0.4616 0.063 Uiso 1 1 calc R U . . .
H51C H 0.3073 0.7927 0.4816 0.063 Uiso 1 1 calc R U . . .
C54 C 0.36631(12) 0.67762(14) 0.65883(7) 0.0272(5) Uani 1 1 d . . . . .
H54 H 0.3720 0.6241 0.6508 0.033 Uiso 1 1 calc R U . . .
C56 C 0.42313(14) 0.70031(19) 0.69190(8) 0.0390(6) Uani 1 1 d . . . . .
H56A H 0.4582 0.6973 0.6826 0.059 Uiso 1 1 calc R U . . .
H56B H 0.4287 0.6654 0.7140 0.059 Uiso 1 1 calc R U . . .
H56C H 0.4188 0.7528 0.7002 0.059 Uiso 1 1 calc R U . . .
C57 C 0.31155(14) 0.67790(18) 0.67376(9) 0.0381(6) Uani 1 1 d . . . . .
H57A H 0.3073 0.7287 0.6842 0.057 Uiso 1 1 calc R U . . .
H57B H 0.3174 0.6395 0.6944 0.057 Uiso 1 1 calc R U . . .
H57C H 0.2751 0.6657 0.6522 0.057 Uiso 1 1 calc R U . . .
C58 C 0.27252(10) 0.56854(14) 0.57893(8) 0.0291(5) Uani 1 1 d . . . . .
H58A H 0.2443 0.5303 0.5635 0.044 Uiso 1 1 calc R U . . .
H58B H 0.2589 0.6199 0.5691 0.044 Uiso 1 1 calc R U . . .
H58C H 0.2742 0.5647 0.6063 0.044 Uiso 1 1 calc R U . . .
C59 C 0.34276(17) 0.5171(2) 0.52520(10) 0.0500(9) Uani 1 1 d . . . . .
H59A H 0.3831 0.5073 0.5235 0.075 Uiso 1 1 calc R U . . .
H59B H 0.3228 0.5564 0.5061 0.075 Uiso 1 1 calc R U . . .
H59C H 0.3190 0.4698 0.5197 0.075 Uiso 1 1 calc R U . . .
C60 C 0.28053(12) 0.74457(15) 0.76531(8) 0.0321(6) Uani 1 1 d . . . . .
H60A H 0.3009 0.7003 0.7578 0.038 Uiso 1 1 calc R U . . .
H60B H 0.2744 0.7322 0.7905 0.038 Uiso 1 1 calc R U . . .
C61 C 0.32159(15) 0.81387(18) 0.77090(10) 0.0443(7) Uani 1 1 d . . . . .
H61A H 0.3292 0.8250 0.7460 0.053 Uiso 1 1 calc R U . . .
H61B H 0.3006 0.8587 0.7774 0.053 Uiso 1 1 calc R U . . .
C62 C 0.38161(17) 0.8037(2) 0.80272(12) 0.0599(10) Uani 1 1 d . . . . .
H62A H 0.3747 0.7957 0.8278 0.090 Uiso 1 1 calc R U . . .
H62B H 0.4063 0.8496 0.8042 0.090 Uiso 1 1 calc R U . . .
H62C H 0.4026 0.7591 0.7967 0.090 Uiso 1 1 calc R U . . .


_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
Al1 Rb1 3.7430(7) . ?
Al1 Rb2 3.7143(6) . ?
Al1 N1 1.8923(19) . ?
Al1 N2 1.8999(19) . ?
Al2 Rb1 3.7069(6) . ?
Al2 Rb2 3.7678(7) . ?
Al2 N3 1.9015(19) . ?
Al2 N4 1.8832(18) . ?
Rb1 C1 3.399(2) . ?
Rb1 C2 3.422(2) . ?
Rb1 C3 3.415(2) . ?
Rb1 C4 3.408(2) . ?
Rb1 C5 3.370(2) . ?
Rb1 C6 3.377(2) . ?
Rb1 C29 3.451(2) . ?
Rb1 C30 3.429(2) . ?
Rb1 C31 3.416(2) . ?
Rb1 C32 3.429(2) . ?
Rb1 C33 3.419(2) . ?
Rb1 C34 3.422(2) . ?
Rb2 C15 3.461(2) . ?
Rb2 C16 3.472(2) . ?
Rb2 C17 3.452(2) . ?
Rb2 C18 3.428(3) . ?
Rb2 C19 3.404(3) . ?
Rb2 C20 3.424(2) . ?
Rb2 C43 3.413(2) . ?
Rb2 C44 3.393(2) . ?
Rb2 C45 3.385(2) . ?
Rb2 C46 3.422(3) . ?
Rb2 C47 3.428(2) . ?
Rb2 C48 3.430(2) . ?
Si1 O1 1.6286(17) . ?
Si1 N1 1.7142(18) . ?
Si1 C13 1.871(2) . ?
Si1 C14 1.862(3) . ?
Si2 O1 1.6308(18) . ?
Si2 N2 1.7196(19) . ?
Si2 C27 1.869(3) . ?
Si2 C28 1.862(3) . ?
Si3 O2 1.6270(17) . ?
Si3 N3 1.7247(18) . ?
Si3 C41 1.863(3) . ?
Si3 C42 1.870(3) . ?
Si4 O2 1.6373(18) . ?
Si4 N4 1.7115(18) . ?
Si4 C58 1.868(2) . ?
Si4 C59 1.850(3) . ?
N1 C1 1.432(3) . ?
N2 C15 1.428(3) . ?
N3 C29 1.428(3) . ?
N4 C43 1.425(3) . ?
C1 C2 1.425(3) . ?
C1 C6 1.414(3) . ?
C2 C3 1.394(3) . ?
C2 C7 1.518(3) . ?
C3 H3 0.9500 . ?
C3 C4 1.379(4) . ?
C4 H4 0.9500 . ?
C4 C5 1.389(4) . ?
C5 H5 0.9500 . ?
C5 C6 1.403(3) . ?
C6 C10 1.524(3) . ?
C7 H7 1.0000 . ?
C7 C8 1.534(3) . ?
C7 C9 1.529(4) . ?
C8 H8A 0.9800 . ?
C8 H8B 0.9800 . ?
C8 H8C 0.9800 . ?
C9 H9A 0.9800 . ?
C9 H9B 0.9800 . ?
C9 H9C 0.9800 . ?
C10 H10 1.0000 . ?
C10 C11 1.529(3) . ?
C10 C12 1.527(3) . ?
C11 H11A 0.9800 . ?
C11 H11B 0.9800 . ?
C11 H11C 0.9800 . ?
C12 H12A 0.9800 . ?
C12 H12B 0.9800 . ?
C12 H12C 0.9800 . ?
C13 H13A 0.9800 . ?
C13 H13B 0.9800 . ?
C13 H13C 0.9800 . ?
C14 H14A 0.9800 . ?
C14 H14B 0.9800 . ?
C14 H14C 0.9800 . ?
C15 C16 1.418(3) . ?
C15 C20 1.418(3) . ?
C16 C17 1.399(3) . ?
C16 C21 1.519(3) . ?
C17 H17 0.9500 . ?
C17 C18 1.390(4) . ?
C18 H18 0.9500 . ?
C18 C19 1.382(4) . ?
C19 H19 0.9500 . ?
C19 C20 1.394(3) . ?
C20 C24 1.529(3) . ?
C21 H21 1.0000 . ?
C21 C22 1.539(4) . ?
C21 C23 1.527(4) . ?
C22 H22A 0.9800 . ?
C22 H22B 0.9800 . ?
C22 H22C 0.9800 . ?
C23 H23A 0.9800 . ?
C23 H23B 0.9800 . ?
C23 H23C 0.9800 . ?
C24 H24 1.0000 . ?
C24 C25 1.534(4) . ?
C24 C26 1.525(3) . ?
C25 H25A 0.9800 . ?
C25 H25B 0.9800 . ?
C25 H25C 0.9800 . ?
C26 H26A 0.9800 . ?
C26 H26B 0.9800 . ?
C26 H26C 0.9800 . ?
C27 H27A 0.9800 . ?
C27 H27B 0.9800 . ?
C27 H27C 0.9800 . ?
C28 H28A 0.9800 . ?
C28 H28B 0.9800 . ?
C28 H28C 0.9800 . ?
C29 C30 1.419(3) . ?
C29 C34 1.424(3) . ?
C30 C31 1.401(3) . ?
C30 C35 1.524(3) . ?
C31 H31 0.9500 . ?
C31 C32 1.380(4) . ?
C32 H32 0.9500 . ?
C32 C33 1.389(4) . ?
C33 H33 0.9500 . ?
C33 C34 1.398(3) . ?
C34 C38 1.527(3) . ?
C35 H35 1.0000 . ?
C35 C36 1.537(3) . ?
C35 C37 1.532(3) . ?
C36 H36A 0.9800 . ?
C36 H36B 0.9800 . ?
C36 H36C 0.9800 . ?
C37 H37A 0.9800 . ?
C37 H37B 0.9800 . ?
C37 H37C 0.9800 . ?
C38 H38 1.0000 . ?
C38 C39 1.527(3) . ?
C38 C40 1.540(4) . ?
C39 H39A 0.9800 . ?
C39 H39B 0.9800 . ?
C39 H39C 0.9800 . ?
C40 H40A 0.9800 . ?
C40 H40B 0.9800 . ?
C40 H40C 0.9800 . ?
C41 H41A 0.9800 . ?
C41 H41B 0.9800 . ?
C41 H41C 0.9800 . ?
C42 H42A 0.9800 . ?
C42 H42B 0.9800 . ?
C42 H42C 0.9800 . ?
C43 C44 1.415(3) . ?
C43 C48 1.421(3) . ?
C44 C45 1.406(3) . ?
C44 C49 1.522(3) . ?
C45 H45 0.9500 . ?
C45 C46 1.387(4) . ?
C46 H46 0.9500 . ?
C46 C47 1.384(4) . ?
C47 H47 0.9500 . ?
C47 C48 1.392(3) . ?
C48 C54 1.522(3) . ?
C49 H49 1.0000 . ?
C49 C50 1.526(3) . ?
C49 C51 1.523(3) . ?
C50 H50A 0.9800 . ?
C50 H50B 0.9800 . ?
C50 H50C 0.9800 . ?
C51 H51A 0.9800 . ?
C51 H51B 0.9800 . ?
C51 H51C 0.9800 . ?
C54 H54 1.0000 . ?
C54 C56 1.532(4) . ?
C54 C57 1.538(4) . ?
C56 H56A 0.9800 . ?
C56 H56B 0.9800 . ?
C56 H56C 0.9800 . ?
C57 H57A 0.9800 . ?
C57 H57B 0.9800 . ?
C57 H57C 0.9800 . ?
C58 H58A 0.9800 . ?
C58 H58B 0.9800 . ?
C58 H58C 0.9800 . ?
C59 H59A 0.9800 . ?
C59 H59B 0.9800 . ?
C59 H59C 0.9800 . ?
C60 C60 1.517(5) 7_566 ?
C60 H60A 0.9900 . ?
C60 H60B 0.9900 . ?
C60 C61 1.518(4) . ?
C61 H61A 0.9900 . ?
C61 H61B 0.9900 . ?
C61 C62 1.518(5) . ?
C62 H62A 0.9800 . ?
C62 H62B 0.9800 . ?
C62 H62C 0.9800 . ?

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
Rb2 Al1 Rb1 82.414(13) . . ?
N1 Al1 Rb1 88.67(6) . . ?
N1 Al1 Rb2 160.52(6) . . ?
N1 Al1 N2 103.87(8) . . ?
N2 Al1 Rb1 156.29(6) . . ?
N2 Al1 Rb2 90.80(6) . . ?
Rb1 Al2 Rb2 82.178(13) . . ?
N3 Al2 Rb1 90.94(6) . . ?
N3 Al2 Rb2 153.98(6) . . ?
N4 Al2 Rb1 161.90(6) . . ?
N4 Al2 Rb2 88.46(6) . . ?
N4 Al2 N3 103.94(8) . . ?
C1 Rb1 C2 24.11(5) . . ?
C1 Rb1 C3 41.86(5) . . ?
C1 Rb1 C4 49.03(5) . . ?
C1 Rb1 C29 168.75(5) . . ?
C1 Rb1 C30 165.87(5) . . ?
C1 Rb1 C31 144.19(5) . . ?
C1 Rb1 C32 131.47(5) . . ?
C1 Rb1 C33 132.47(5) . . ?
C1 Rb1 C34 146.16(5) . . ?
C2 Rb1 C29 159.47(5) . . ?
C2 Rb1 C30 142.22(5) . . ?
C2 Rb1 C32 110.89(5) . . ?
C2 Rb1 C34 142.01(5) . . ?
C3 Rb1 C2 23.53(5) . . ?
C3 Rb1 C29 137.23(5) . . ?
C3 Rb1 C30 127.80(5) . . ?
C3 Rb1 C31 104.18(6) . . ?
C3 Rb1 C32 89.79(6) . . ?
C3 Rb1 C33 96.59(6) . . ?
C3 Rb1 C34 118.64(5) . . ?
C4 Rb1 C2 41.59(6) . . ?
C4 Rb1 C3 23.33(6) . . ?
C4 Rb1 C29 124.74(5) . . ?
C4 Rb1 C30 126.98(6) . . ?
C4 Rb1 C31 106.00(6) . . ?
C4 Rb1 C32 85.52(6) . . ?
C4 Rb1 C33 83.64(6) . . ?
C4 Rb1 C34 101.93(5) . . ?
C5 Rb1 C1 42.09(5) . . ?
C5 Rb1 C2 48.45(6) . . ?
C5 Rb1 C3 41.13(6) . . ?
C5 Rb1 C4 23.64(6) . . ?
C5 Rb1 C6 24.00(5) . . ?
C5 Rb1 C29 127.79(5) . . ?
C5 Rb1 C30 141.16(5) . . ?
C5 Rb1 C31 125.32(6) . . ?
C5 Rb1 C32 102.61(6) . . ?
C5 Rb1 C33 93.12(6) . . ?
C5 Rb1 C34 104.15(5) . . ?
C6 Rb1 C1 24.08(5) . . ?
C6 Rb1 C2 42.12(5) . . ?
C6 Rb1 C3 48.53(6) . . ?
C6 Rb1 C4 42.11(5) . . ?
C6 Rb1 C29 144.67(5) . . ?
C6 Rb1 C30 164.45(5) . . ?
C6 Rb1 C31 148.03(5) . . ?
C6 Rb1 C32 126.21(6) . . ?
C6 Rb1 C33 116.55(5) . . ?
C6 Rb1 C34 123.61(5) . . ?
C30 Rb1 C29 23.81(5) . . ?
C30 Rb1 C32 41.47(5) . . ?
C31 Rb1 C2 120.18(5) . . ?
C31 Rb1 C29 41.62(5) . . ?
C31 Rb1 C30 23.62(5) . . ?
C31 Rb1 C32 23.27(6) . . ?
C31 Rb1 C33 40.89(6) . . ?
C31 Rb1 C34 48.16(6) . . ?
C32 Rb1 C29 48.58(5) . . ?
C33 Rb1 C2 120.08(5) . . ?
C33 Rb1 C29 41.63(5) . . ?
C33 Rb1 C30 48.10(6) . . ?
C33 Rb1 C32 23.40(6) . . ?
C33 Rb1 C34 23.58(5) . . ?
C34 Rb1 C29 23.92(5) . . ?
C34 Rb1 C30 41.74(5) . . ?
C34 Rb1 C32 41.57(6) . . ?
C15 Rb2 C16 23.61(5) . . ?
C17 Rb2 C15 41.25(5) . . ?
C17 Rb2 C16 23.32(5) . . ?
C18 Rb2 C15 48.43(6) . . ?
C18 Rb2 C16 41.29(6) . . ?
C18 Rb2 C17 23.31(6) . . ?
C18 Rb2 C48 111.55(6) . . ?
C19 Rb2 C15 41.51(5) . . ?
C19 Rb2 C16 47.83(6) . . ?
C19 Rb2 C17 40.75(6) . . ?
C19 Rb2 C18 23.33(7) . . ?
C19 Rb2 C20 23.55(5) . . ?
C19 Rb2 C43 131.54(5) . . ?
C19 Rb2 C46 83.33(6) . . ?
C19 Rb2 C47 97.34(6) . . ?
C19 Rb2 C48 120.76(6) . . ?
C20 Rb2 C15 23.76(5) . . ?
C20 Rb2 C16 41.38(6) . . ?
C20 Rb2 C17 47.80(6) . . ?
C20 Rb2 C18 41.43(6) . . ?
C20 Rb2 C47 119.62(6) . . ?
C20 Rb2 C48 142.70(5) . . ?
C43 Rb2 C15 167.66(5) . . ?
C43 Rb2 C16 166.47(5) . . ?
C43 Rb2 C17 144.54(5) . . ?
C43 Rb2 C18 131.02(6) . . ?
C43 Rb2 C20 145.12(5) . . ?
C43 Rb2 C46 48.77(5) . . ?
C43 Rb2 C47 41.63(5) . . ?
C43 Rb2 C48 23.97(5) . . ?
C44 Rb2 C15 143.66(5) . . ?
C44 Rb2 C16 162.37(5) . . ?
C44 Rb2 C17 146.21(6) . . ?
C44 Rb2 C18 124.17(6) . . ?
C44 Rb2 C19 114.65(6) . . ?
C44 Rb2 C20 122.29(6) . . ?
C44 Rb2 C43 24.00(5) . . ?
C44 Rb2 C46 41.95(6) . . ?
C44 Rb2 C47 48.38(6) . . ?
C44 Rb2 C48 41.99(5) . . ?
C45 Rb2 C15 127.10(5) . . ?
C45 Rb2 C16 139.23(6) . . ?
C45 Rb2 C17 123.12(6) . . ?
C45 Rb2 C18 100.42(6) . . ?
C45 Rb2 C19 91.58(6) . . ?
C45 Rb2 C20 103.47(6) . . ?
C45 Rb2 C43 41.89(5) . . ?
C45 Rb2 C44 23.94(5) . . ?
C45 Rb2 C46 23.50(6) . . ?
C45 Rb2 C47 41.00(6) . . ?
C45 Rb2 C48 48.27(6) . . ?
C46 Rb2 C15 124.56(5) . . ?
C46 Rb2 C16 125.60(6) . . ?
C46 Rb2 C17 104.59(6) . . ?
C46 Rb2 C18 84.32(6) . . ?
C46 Rb2 C20 102.25(6) . . ?
C46 Rb2 C47 23.32(6) . . ?
C46 Rb2 C48 41.46(6) . . ?
C47 Rb2 C15 137.55(5) . . ?
C47 Rb2 C16 127.29(6) . . ?
C47 Rb2 C17 103.98(6) . . ?
C47 Rb2 C18 89.93(6) . . ?
C47 Rb2 C48 23.42(5) . . ?
C48 Rb2 C15 159.98(5) . . ?
C48 Rb2 C16 142.62(5) . . ?
C48 Rb2 C17 120.91(6) . . ?
O1 Si1 N1 107.75(9) . . ?
O1 Si1 C13 107.92(11) . . ?
O1 Si1 C14 105.68(14) . . ?
N1 Si1 C13 111.57(10) . . ?
N1 Si1 C14 114.42(11) . . ?
C14 Si1 C13 109.15(14) . . ?
O1 Si2 N2 107.27(9) . . ?
O1 Si2 C27 105.58(13) . . ?
O1 Si2 C28 108.12(12) . . ?
N2 Si2 C27 113.49(11) . . ?
N2 Si2 C28 113.31(11) . . ?
C28 Si2 C27 108.64(14) . . ?
O2 Si3 N3 107.26(9) . . ?
O2 Si3 C41 108.33(12) . . ?
O2 Si3 C42 106.03(14) . . ?
N3 Si3 C41 113.92(11) . . ?
N3 Si3 C42 114.01(11) . . ?
C41 Si3 C42 106.88(15) . . ?
O2 Si4 N4 107.80(9) . . ?
O2 Si4 C58 107.26(11) . . ?
O2 Si4 C59 106.14(15) . . ?
N4 Si4 C58 111.67(10) . . ?
N4 Si4 C59 113.60(12) . . ?
C59 Si4 C58 110.00(15) . . ?
Si1 O1 Si2 138.34(11) . . ?
Si3 O2 Si4 137.12(11) . . ?
Si1 N1 Al1 126.00(10) . . ?
C1 N1 Al1 113.52(13) . . ?
C1 N1 Si1 120.48(14) . . ?
Si2 N2 Al1 126.32(10) . . ?
C15 N2 Al1 112.30(13) . . ?
C15 N2 Si2 121.27(14) . . ?
Si3 N3 Al2 128.36(10) . . ?
C29 N3 Al2 111.60(13) . . ?
C29 N3 Si3 119.73(14) . . ?
Si4 N4 Al2 124.49(10) . . ?
C43 N4 Al2 113.97(13) . . ?
C43 N4 Si4 121.42(14) . . ?
N1 C1 Rb1 112.09(12) . . ?
C2 C1 Rb1 78.84(12) . . ?
C2 C1 N1 119.28(19) . . ?
C6 C1 Rb1 77.09(12) . . ?
C6 C1 N1 121.86(19) . . ?
C6 C1 C2 118.81(19) . . ?
C1 C2 Rb1 77.05(12) . . ?
C1 C2 C7 121.5(2) . . ?
C3 C2 Rb1 77.98(13) . . ?
C3 C2 C1 119.4(2) . . ?
C3 C2 C7 119.0(2) . . ?
C7 C2 Rb1 114.61(14) . . ?
Rb1 C3 H3 114.8 . . ?
C2 C3 Rb1 78.49(13) . . ?
C2 C3 H3 119.0 . . ?
C4 C3 Rb1 78.04(14) . . ?
C4 C3 C2 121.9(2) . . ?
C4 C3 H3 119.0 . . ?
Rb1 C4 H4 114.9 . . ?
C3 C4 Rb1 78.64(15) . . ?
C3 C4 H4 120.6 . . ?
C3 C4 C5 118.9(2) . . ?
C5 C4 Rb1 76.65(14) . . ?
C5 C4 H4 120.6 . . ?
Rb1 C5 H5 113.1 . . ?
C4 C5 Rb1 79.70(15) . . ?
C4 C5 H5 119.2 . . ?
C4 C5 C6 121.7(2) . . ?
C6 C5 Rb1 78.27(13) . . ?
C6 C5 H5 119.2 . . ?
C1 C6 Rb1 78.83(12) . . ?
C1 C6 C10 122.81(19) . . ?
C5 C6 Rb1 77.73(13) . . ?
C5 C6 C1 119.3(2) . . ?
C5 C6 C10 117.9(2) . . ?
C10 C6 Rb1 113.12(13) . . ?
C2 C7 H7 107.5 . . ?
C2 C7 C8 112.5(2) . . ?
C2 C7 C9 111.1(2) . . ?
C8 C7 H7 107.5 . . ?
C9 C7 H7 107.5 . . ?
C9 C7 C8 110.4(2) . . ?
C7 C8 H8A 109.5 . . ?
C7 C8 H8B 109.5 . . ?
C7 C8 H8C 109.5 . . ?
H8A C8 H8B 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
C7 C9 H9A 109.5 . . ?
C7 C9 H9B 109.5 . . ?
C7 C9 H9C 109.5 . . ?
H9A C9 H9B 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
C6 C10 H10 108.1 . . ?
C6 C10 C11 111.16(19) . . ?
C6 C10 C12 111.52(18) . . ?
C11 C10 H10 108.1 . . ?
C12 C10 H10 108.1 . . ?
C12 C10 C11 109.9(2) . . ?
C10 C11 H11A 109.5 . . ?
C10 C11 H11B 109.5 . . ?
C10 C11 H11C 109.5 . . ?
H11A C11 H11B 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
C10 C12 H12A 109.5 . . ?
C10 C12 H12B 109.5 . . ?
C10 C12 H12C 109.5 . . ?
H12A C12 H12B 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
Si1 C13 H13A 109.5 . . ?
Si1 C13 H13B 109.5 . . ?
Si1 C13 H13C 109.5 . . ?
H13A C13 H13B 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
Si1 C14 H14A 109.5 . . ?
Si1 C14 H14B 109.5 . . ?
Si1 C14 H14C 109.5 . . ?
H14A C14 H14B 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
N2 C15 Rb2 111.26(12) . . ?
C16 C15 Rb2 78.66(12) . . ?
C16 C15 N2 121.2(2) . . ?
C20 C15 Rb2 76.68(12) . . ?
C20 C15 N2 120.2(2) . . ?
C20 C15 C16 118.5(2) . . ?
C15 C16 Rb2 77.74(12) . . ?
C15 C16 C21 122.4(2) . . ?
C17 C16 Rb2 77.54(14) . . ?
C17 C16 C15 119.6(2) . . ?
C17 C16 C21 118.0(2) . . ?
C21 C16 Rb2 114.96(15) . . ?
Rb2 C17 H17 114.6 . . ?
C16 C17 Rb2 79.15(14) . . ?
C16 C17 H17 119.3 . . ?
C18 C17 Rb2 77.38(15) . . ?
C18 C17 C16 121.4(2) . . ?
C18 C17 H17 119.3 . . ?
Rb2 C18 H18 113.4 . . ?
C17 C18 Rb2 79.31(15) . . ?
C17 C18 H18 120.5 . . ?
C19 C18 Rb2 77.36(15) . . ?
C19 C18 C17 118.9(2) . . ?
C19 C18 H18 120.5 . . ?
Rb2 C19 H19 112.7 . . ?
C18 C19 Rb2 79.31(16) . . ?
C18 C19 H19 119.2 . . ?
C18 C19 C20 121.7(2) . . ?
C20 C19 Rb2 79.03(14) . . ?
C20 C19 H19 119.2 . . ?
C15 C20 Rb2 79.56(12) . . ?
C15 C20 C24 121.7(2) . . ?
C19 C20 Rb2 77.42(14) . . ?
C19 C20 C15 119.9(2) . . ?
C19 C20 C24 118.3(2) . . ?
C24 C20 Rb2 109.14(14) . . ?
C16 C21 H21 107.8 . . ?
C16 C21 C22 110.9(2) . . ?
C16 C21 C23 111.7(2) . . ?
C22 C21 H21 107.8 . . ?
C23 C21 H21 107.8 . . ?
C23 C21 C22 110.9(2) . . ?
C21 C22 H22A 109.5 . . ?
C21 C22 H22B 109.5 . . ?
C21 C22 H22C 109.5 . . ?
H22A C22 H22B 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
C21 C23 H23A 109.5 . . ?
C21 C23 H23B 109.5 . . ?
C21 C23 H23C 109.5 . . ?
H23A C23 H23B 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
C20 C24 H24 107.9 . . ?
C20 C24 C25 109.3(2) . . ?
C25 C24 H24 107.9 . . ?
C26 C24 C20 113.5(2) . . ?
C26 C24 H24 107.9 . . ?
C26 C24 C25 110.1(2) . . ?
C24 C25 H25A 109.5 . . ?
C24 C25 H25B 109.5 . . ?
C24 C25 H25C 109.5 . . ?
H25A C25 H25B 109.5 . . ?
H25A C25 H25C 109.5 . . ?
H25B C25 H25C 109.5 . . ?
C24 C26 H26A 109.5 . . ?
C24 C26 H26B 109.5 . . ?
C24 C26 H26C 109.5 . . ?
H26A C26 H26B 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?
Si2 C27 H27A 109.5 . . ?
Si2 C27 H27B 109.5 . . ?
Si2 C27 H27C 109.5 . . ?
H27A C27 H27B 109.5 . . ?
H27A C27 H27C 109.5 . . ?
H27B C27 H27C 109.5 . . ?
Si2 C28 H28A 109.5 . . ?
Si2 C28 H28B 109.5 . . ?
Si2 C28 H28C 109.5 . . ?
H28A C28 H28B 109.5 . . ?
H28A C28 H28C 109.5 . . ?
H28B C28 H28C 109.5 . . ?
N3 C29 Rb1 111.68(12) . . ?
C30 C29 Rb1 77.21(12) . . ?
C30 C29 N3 121.44(19) . . ?
C30 C29 C34 118.24(19) . . ?
C34 C29 Rb1 76.90(12) . . ?
C34 C29 N3 120.14(19) . . ?
C29 C30 Rb1 78.98(12) . . ?
C29 C30 C35 122.16(19) . . ?
C31 C30 Rb1 77.68(13) . . ?
C31 C30 C29 119.8(2) . . ?
C31 C30 C35 118.0(2) . . ?
C35 C30 Rb1 112.40(14) . . ?
Rb1 C31 H31 113.5 . . ?
C30 C31 Rb1 78.70(13) . . ?
C30 C31 H31 119.2 . . ?
C32 C31 Rb1 78.90(14) . . ?
C32 C31 C30 121.6(2) . . ?
C32 C31 H31 119.2 . . ?
Rb1 C32 H32 114.5 . . ?
C31 C32 Rb1 77.84(14) . . ?
C31 C32 H32 120.4 . . ?
C31 C32 C33 119.1(2) . . ?
C33 C32 Rb1 77.89(14) . . ?
C33 C32 H32 120.4 . . ?
Rb1 C33 H33 114.0 . . ?
C32 C33 Rb1 78.70(14) . . ?
C32 C33 H33 119.3 . . ?
C32 C33 C34 121.4(2) . . ?
C34 C33 Rb1 78.33(13) . . ?
C34 C33 H33 119.3 . . ?
C29 C34 Rb1 79.19(12) . . ?
C29 C34 C38 121.64(19) . . ?
C33 C34 Rb1 78.08(13) . . ?
C33 C34 C29 119.8(2) . . ?
C33 C34 C38 118.4(2) . . ?
C38 C34 Rb1 108.59(14) . . ?
C30 C35 H35 107.9 . . ?
C30 C35 C36 111.9(2) . . ?
C30 C35 C37 110.8(2) . . ?
C36 C35 H35 107.9 . . ?
C37 C35 H35 107.9 . . ?
C37 C35 C36 110.3(2) . . ?
C35 C36 H36A 109.5 . . ?
C35 C36 H36B 109.5 . . ?
C35 C36 H36C 109.5 . . ?
H36A C36 H36B 109.5 . . ?
H36A C36 H36C 109.5 . . ?
H36B C36 H36C 109.5 . . ?
C35 C37 H37A 109.5 . . ?
C35 C37 H37B 109.5 . . ?
C35 C37 H37C 109.5 . . ?
H37A C37 H37B 109.5 . . ?
H37A C37 H37C 109.5 . . ?
H37B C37 H37C 109.5 . . ?
C34 C38 H38 108.1 . . ?
C34 C38 C40 108.7(2) . . ?
C39 C38 C34 113.4(2) . . ?
C39 C38 H38 108.1 . . ?
C39 C38 C40 110.4(2) . . ?
C40 C38 H38 108.1 . . ?
C38 C39 H39A 109.5 . . ?
C38 C39 H39B 109.5 . . ?
C38 C39 H39C 109.5 . . ?
H39A C39 H39B 109.5 . . ?
H39A C39 H39C 109.5 . . ?
H39B C39 H39C 109.5 . . ?
C38 C40 H40A 109.5 . . ?
C38 C40 H40B 109.5 . . ?
C38 C40 H40C 109.5 . . ?
H40A C40 H40B 109.5 . . ?
H40A C40 H40C 109.5 . . ?
H40B C40 H40C 109.5 . . ?
Si3 C41 H41A 109.5 . . ?
Si3 C41 H41B 109.5 . . ?
Si3 C41 H41C 109.5 . . ?
H41A C41 H41B 109.5 . . ?
H41A C41 H41C 109.5 . . ?
H41B C41 H41C 109.5 . . ?
Si3 C42 H42A 109.5 . . ?
Si3 C42 H42B 109.5 . . ?
Si3 C42 H42C 109.5 . . ?
H42A C42 H42B 109.5 . . ?
H42A C42 H42C 109.5 . . ?
H42B C42 H42C 109.5 . . ?
N4 C43 Rb2 112.25(12) . . ?
C44 C43 Rb2 77.23(12) . . ?
C44 C43 N4 121.5(2) . . ?
C44 C43 C48 119.1(2) . . ?
C48 C43 Rb2 78.68(12) . . ?
C48 C43 N4 119.4(2) . . ?
C43 C44 Rb2 78.77(12) . . ?
C43 C44 C49 122.46(19) . . ?
C45 C44 Rb2 77.70(13) . . ?
C45 C44 C43 119.0(2) . . ?
C45 C44 C49 118.6(2) . . ?
C49 C44 Rb2 113.11(13) . . ?
Rb2 C45 H45 113.0 . . ?
C44 C45 Rb2 78.36(13) . . ?
C44 C45 H45 119.1 . . ?
C46 C45 Rb2 79.75(15) . . ?
C46 C45 C44 121.8(2) . . ?
C46 C45 H45 119.1 . . ?
Rb2 C46 H46 114.9 . . ?
C45 C46 Rb2 76.75(14) . . ?
C45 C46 H46 120.6 . . ?
C47 C46 Rb2 78.57(14) . . ?
C47 C46 C45 118.9(2) . . ?
C47 C46 H46 120.6 . . ?
Rb2 C47 H47 114.8 . . ?
C46 C47 Rb2 78.11(14) . . ?
C46 C47 H47 119.1 . . ?
C46 C47 C48 121.8(2) . . ?
C48 C47 Rb2 78.37(13) . . ?
C48 C47 H47 119.1 . . ?
C43 C48 Rb2 77.35(12) . . ?
C43 C48 C54 121.6(2) . . ?
C47 C48 Rb2 78.21(13) . . ?
C47 C48 C43 119.5(2) . . ?
C47 C48 C54 118.8(2) . . ?
C54 C48 Rb2 114.52(15) . . ?
C44 C49 H49 107.8 . . ?
C44 C49 C50 111.8(2) . . ?
C44 C49 C51 112.29(19) . . ?
C50 C49 H49 107.8 . . ?
C51 C49 H49 107.8 . . ?
C51 C49 C50 109.1(2) . . ?
C49 C50 H50A 109.5 . . ?
C49 C50 H50B 109.5 . . ?
C49 C50 H50C 109.5 . . ?
H50A C50 H50B 109.5 . . ?
H50A C50 H50C 109.5 . . ?
H50B C50 H50C 109.5 . . ?
C49 C51 H51A 109.5 . . ?
C49 C51 H51B 109.5 . . ?
C49 C51 H51C 109.5 . . ?
H51A C51 H51B 109.5 . . ?
H51A C51 H51C 109.5 . . ?
H51B C51 H51C 109.5 . . ?
C48 C54 H54 107.8 . . ?
C48 C54 C56 110.9(2) . . ?
C48 C54 C57 112.5(2) . . ?
C56 C54 H54 107.8 . . ?
C56 C54 C57 109.8(2) . . ?
C57 C54 H54 107.8 . . ?
C54 C56 H56A 109.5 . . ?
C54 C56 H56B 109.5 . . ?
C54 C56 H56C 109.5 . . ?
H56A C56 H56B 109.5 . . ?
H56A C56 H56C 109.5 . . ?
H56B C56 H56C 109.5 . . ?
C54 C57 H57A 109.5 . . ?
C54 C57 H57B 109.5 . . ?
C54 C57 H57C 109.5 . . ?
H57A C57 H57B 109.5 . . ?
H57A C57 H57C 109.5 . . ?
H57B C57 H57C 109.5 . . ?
Si4 C58 H58A 109.5 . . ?
Si4 C58 H58B 109.5 . . ?
Si4 C58 H58C 109.5 . . ?
H58A C58 H58B 109.5 . . ?
H58A C58 H58C 109.5 . . ?
H58B C58 H58C 109.5 . . ?
Si4 C59 H59A 109.5 . . ?
Si4 C59 H59B 109.5 . . ?
Si4 C59 H59C 109.5 . . ?
H59A C59 H59B 109.5 . . ?
H59A C59 H59C 109.5 . . ?
H59B C59 H59C 109.5 . . ?
C60 C60 H60A 108.7 7_566 . ?
C60 C60 H60B 108.7 7_566 . ?
C60 C60 C61 114.1(3) 7_566 . ?
H60A C60 H60B 107.6 . . ?
C61 C60 H60A 108.7 . . ?
C61 C60 H60B 108.7 . . ?
C60 C61 H61A 108.8 . . ?
C60 C61 H61B 108.8 . . ?
H61A C61 H61B 107.7 . . ?
C62 C61 C60 113.7(3) . . ?
C62 C61 H61A 108.8 . . ?
C62 C61 H61B 108.8 . . ?
C61 C62 H62A 109.5 . . ?
C61 C62 H62B 109.5 . . ?
C61 C62 H62C 109.5 . . ?
H62A C62 H62B 109.5 . . ?
H62A C62 H62C 109.5 . . ?
H62B C62 H62C 109.5 . . ?

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
Al1 N1 C1 Rb1 1.65(17) . . . . ?
Al1 N1 C1 C2 -87.7(2) . . . . ?
Al1 N1 C1 C6 89.8(2) . . . . ?
Al1 N2 C15 Rb2 -5.60(17) . . . . ?
Al1 N2 C15 C16 83.8(2) . . . . ?
Al1 N2 C15 C20 -92.2(2) . . . . ?
Al2 N3 C29 Rb1 -7.36(16) . . . . ?
Al2 N3 C29 C30 80.6(2) . . . . ?
Al2 N3 C29 C34 -94.4(2) . . . . ?
Al2 N4 C43 Rb2 0.59(17) . . . . ?
Al2 N4 C43 C44 88.9(2) . . . . ?
Al2 N4 C43 C48 -88.7(2) . . . . ?
Rb1 Al1 N1 Si1 179.51(12) . . . . ?
Rb1 Al1 N1 C1 -1.39(14) . . . . ?
Rb1 Al1 N2 Si2 108.43(16) . . . . ?
Rb1 Al1 N2 C15 -67.9(2) . . . . ?
Rb1 Al2 N4 Si4 124.85(16) . . . . ?
Rb1 Al2 N4 C43 -59.1(3) . . . . ?
Rb1 C1 C2 C3 68.0(2) . . . . ?
Rb1 C1 C2 C7 -111.1(2) . . . . ?
Rb1 C1 C6 C5 -68.94(19) . . . . ?
Rb1 C1 C6 C10 110.42(19) . . . . ?
Rb1 C2 C3 C4 67.9(2) . . . . ?
Rb1 C2 C7 C8 135.86(18) . . . . ?
Rb1 C2 C7 C9 11.5(2) . . . . ?
Rb1 C3 C4 C5 67.7(2) . . . . ?
Rb1 C4 C5 C6 69.2(2) . . . . ?
Rb1 C5 C6 C1 69.54(18) . . . . ?
Rb1 C5 C6 C10 -109.85(18) . . . . ?
Rb1 C6 C10 C11 -22.6(2) . . . . ?
Rb1 C6 C10 C12 -145.55(16) . . . . ?
Rb1 C29 C30 C31 -68.77(19) . . . . ?
Rb1 C29 C30 C35 109.6(2) . . . . ?
Rb1 C29 C34 C33 69.4(2) . . . . ?
Rb1 C29 C34 C38 -105.3(2) . . . . ?
Rb1 C30 C31 C32 -69.3(2) . . . . ?
Rb1 C30 C35 C36 -144.48(16) . . . . ?
Rb1 C30 C35 C37 -20.8(2) . . . . ?
Rb1 C31 C32 C33 -68.6(2) . . . . ?
Rb1 C32 C33 C34 -68.7(2) . . . . ?
Rb1 C33 C34 C29 -70.03(19) . . . . ?
Rb1 C33 C34 C38 104.85(19) . . . . ?
Rb1 C34 C38 C39 134.47(18) . . . . ?
Rb1 C34 C38 C40 11.3(2) . . . . ?
Rb2 Al1 N1 Si1 116.99(16) . . . . ?
Rb2 Al1 N1 C1 -63.9(3) . . . . ?
Rb2 Al1 N2 Si2 -178.83(12) . . . . ?
Rb2 Al1 N2 C15 4.86(15) . . . . ?
Rb2 Al2 N4 Si4 -176.49(12) . . . . ?
Rb2 Al2 N4 C43 -0.49(15) . . . . ?
Rb2 C15 C16 C17 -67.8(2) . . . . ?
Rb2 C15 C16 C21 111.9(2) . . . . ?
Rb2 C15 C20 C19 68.8(2) . . . . ?
Rb2 C15 C20 C24 -106.1(2) . . . . ?
Rb2 C16 C17 C18 -67.8(2) . . . . ?
Rb2 C16 C21 C22 -149.79(18) . . . . ?
Rb2 C16 C21 C23 -25.6(3) . . . . ?
Rb2 C17 C18 C19 -69.0(2) . . . . ?
Rb2 C18 C19 C20 -69.9(2) . . . . ?
Rb2 C19 C20 C15 -69.99(19) . . . . ?
Rb2 C19 C20 C24 105.1(2) . . . . ?
Rb2 C20 C24 C25 11.4(2) . . . . ?
Rb2 C20 C24 C26 134.7(2) . . . . ?
Rb2 C43 C44 C45 -69.02(19) . . . . ?
Rb2 C43 C44 C49 110.37(19) . . . . ?
Rb2 C43 C48 C47 68.4(2) . . . . ?
Rb2 C43 C48 C54 -111.2(2) . . . . ?
Rb2 C44 C45 C46 -70.0(2) . . . . ?
Rb2 C44 C49 C50 -23.7(2) . . . . ?
Rb2 C44 C49 C51 -146.67(19) . . . . ?
Rb2 C45 C46 C47 -68.8(2) . . . . ?
Rb2 C46 C47 C48 -68.1(2) . . . . ?
Rb2 C47 C48 C43 -67.94(19) . . . . ?
Rb2 C47 C48 C54 111.7(2) . . . . ?
Rb2 C48 C54 C56 13.9(2) . . . . ?
Rb2 C48 C54 C57 137.33(18) . . . . ?
Si1 N1 C1 Rb1 -179.19(9) . . . . ?
Si1 N1 C1 C2 91.5(2) . . . . ?
Si1 N1 C1 C6 -91.0(2) . . . . ?
Si2 N2 C15 Rb2 177.88(10) . . . . ?
Si2 N2 C15 C16 -92.8(2) . . . . ?
Si2 N2 C15 C20 91.3(2) . . . . ?
Si3 N3 C29 Rb1 178.56(9) . . . . ?
Si3 N3 C29 C30 -93.5(2) . . . . ?
Si3 N3 C29 C34 91.5(2) . . . . ?
Si4 N4 C43 Rb2 176.73(9) . . . . ?
Si4 N4 C43 C44 -95.0(2) . . . . ?
Si4 N4 C43 C48 87.5(2) . . . . ?
O1 Si1 N1 Al1 29.65(16) . . . . ?
O1 Si1 N1 C1 -149.40(16) . . . . ?
O1 Si2 N2 Al1 28.53(16) . . . . ?
O1 Si2 N2 C15 -155.47(17) . . . . ?
O2 Si3 N3 Al2 17.70(17) . . . . ?
O2 Si3 N3 C29 -169.32(16) . . . . ?
O2 Si4 N4 Al2 36.52(15) . . . . ?
O2 Si4 N4 C43 -139.20(17) . . . . ?
N1 Al1 N2 Si2 -11.77(15) . . . . ?
N1 Al1 N2 C15 171.92(15) . . . . ?
N1 Si1 O1 Si2 -7.1(2) . . . . ?
N1 C1 C2 Rb1 109.20(17) . . . . ?
N1 C1 C2 C3 177.2(2) . . . . ?
N1 C1 C2 C7 -1.9(3) . . . . ?
N1 C1 C6 Rb1 -108.16(18) . . . . ?
N1 C1 C6 C5 -177.11(19) . . . . ?
N1 C1 C6 C10 2.3(3) . . . . ?
N2 Al1 N1 Si1 -20.83(15) . . . . ?
N2 Al1 N1 C1 158.27(14) . . . . ?
N2 Si2 O1 Si1 -19.8(2) . . . . ?
N2 C15 C16 Rb2 -108.11(18) . . . . ?
N2 C15 C16 C17 -175.9(2) . . . . ?
N2 C15 C16 C21 3.8(3) . . . . ?
N2 C15 C20 Rb2 107.05(18) . . . . ?
N2 C15 C20 C19 175.9(2) . . . . ?
N2 C15 C20 C24 0.9(3) . . . . ?
N3 Al2 N4 Si4 -19.63(14) . . . . ?
N3 Al2 N4 C43 156.37(15) . . . . ?
N3 Si3 O2 Si4 6.1(2) . . . . ?
N3 C29 C30 Rb1 -107.77(18) . . . . ?
N3 C29 C30 C31 -176.5(2) . . . . ?
N3 C29 C30 C35 1.9(3) . . . . ?
N3 C29 C34 Rb1 107.66(18) . . . . ?
N3 C29 C34 C33 177.1(2) . . . . ?
N3 C29 C34 C38 2.4(3) . . . . ?
N4 Si4 O2 Si3 -31.5(2) . . . . ?
N4 C43 C44 Rb2 -108.45(18) . . . . ?
N4 C43 C44 C45 -177.47(19) . . . . ?
N4 C43 C44 C49 1.9(3) . . . . ?
N4 C43 C48 Rb2 109.30(18) . . . . ?
N4 C43 C48 C47 177.7(2) . . . . ?
N4 C43 C48 C54 -1.9(3) . . . . ?
C1 C2 C3 Rb1 -67.46(19) . . . . ?
C1 C2 C3 C4 0.4(4) . . . . ?
C1 C2 C7 C8 -134.6(2) . . . . ?
C1 C2 C7 C9 101.0(3) . . . . ?
C1 C6 C10 C11 -114.0(2) . . . . ?
C1 C6 C10 C12 123.0(2) . . . . ?
C2 C1 C6 Rb1 69.35(18) . . . . ?
C2 C1 C6 C5 0.4(3) . . . . ?
C2 C1 C6 C10 179.77(19) . . . . ?
C2 C3 C4 Rb1 -68.1(2) . . . . ?
C2 C3 C4 C5 -0.5(4) . . . . ?
C3 C2 C7 C8 46.3(3) . . . . ?
C3 C2 C7 C9 -78.0(3) . . . . ?
C3 C4 C5 Rb1 -68.8(2) . . . . ?
C3 C4 C5 C6 0.4(4) . . . . ?
C4 C5 C6 Rb1 -70.0(2) . . . . ?
C4 C5 C6 C1 -0.4(3) . . . . ?
C4 C5 C6 C10 -179.8(2) . . . . ?
C5 C6 C10 C11 65.4(3) . . . . ?
C5 C6 C10 C12 -57.6(3) . . . . ?
C6 C1 C2 Rb1 -68.38(17) . . . . ?
C6 C1 C2 C3 -0.4(3) . . . . ?
C6 C1 C2 C7 -179.5(2) . . . . ?
C7 C2 C3 Rb1 111.6(2) . . . . ?
C7 C2 C3 C4 179.5(2) . . . . ?
C13 Si1 O1 Si2 -127.7(2) . . . . ?
C13 Si1 N1 Al1 147.94(13) . . . . ?
C13 Si1 N1 C1 -31.1(2) . . . . ?
C14 Si1 O1 Si2 115.6(2) . . . . ?
C14 Si1 N1 Al1 -87.54(18) . . . . ?
C14 Si1 N1 C1 93.4(2) . . . . ?
C15 C16 C17 Rb2 67.92(19) . . . . ?
C15 C16 C17 C18 0.1(4) . . . . ?
C15 C16 C21 C22 119.2(3) . . . . ?
C15 C16 C21 C23 -116.6(3) . . . . ?
C15 C20 C24 C25 100.8(3) . . . . ?
C15 C20 C24 C26 -135.9(2) . . . . ?
C16 C15 C20 Rb2 -68.99(18) . . . . ?
C16 C15 C20 C19 -0.2(3) . . . . ?
C16 C15 C20 C24 -175.1(2) . . . . ?
C16 C17 C18 Rb2 68.7(2) . . . . ?
C16 C17 C18 C19 -0.3(4) . . . . ?
C17 C16 C21 C22 -61.1(3) . . . . ?
C17 C16 C21 C23 63.1(3) . . . . ?
C17 C18 C19 Rb2 70.1(2) . . . . ?
C17 C18 C19 C20 0.2(4) . . . . ?
C18 C19 C20 Rb2 70.0(2) . . . . ?
C18 C19 C20 C15 0.0(4) . . . . ?
C18 C19 C20 C24 175.2(2) . . . . ?
C19 C20 C24 C25 -74.3(3) . . . . ?
C19 C20 C24 C26 49.0(3) . . . . ?
C20 C15 C16 Rb2 67.90(18) . . . . ?
C20 C15 C16 C17 0.1(3) . . . . ?
C20 C15 C16 C21 179.8(2) . . . . ?
C21 C16 C17 Rb2 -111.8(2) . . . . ?
C21 C16 C17 C18 -179.6(2) . . . . ?
C27 Si2 O1 Si1 101.5(2) . . . . ?
C27 Si2 N2 Al1 -87.70(17) . . . . ?
C27 Si2 N2 C15 88.3(2) . . . . ?
C28 Si2 O1 Si1 -142.4(2) . . . . ?
C28 Si2 N2 Al1 147.78(15) . . . . ?
C28 Si2 N2 C15 -36.2(2) . . . . ?
C29 C30 C31 Rb1 69.48(19) . . . . ?
C29 C30 C31 C32 0.2(4) . . . . ?
C29 C30 C35 C36 124.7(2) . . . . ?
C29 C30 C35 C37 -111.7(2) . . . . ?
C29 C34 C38 C39 -137.0(2) . . . . ?
C29 C34 C38 C40 99.9(2) . . . . ?
C30 C29 C34 Rb1 -67.48(18) . . . . ?
C30 C29 C34 C33 1.9(3) . . . . ?
C30 C29 C34 C38 -172.8(2) . . . . ?
C30 C31 C32 Rb1 69.2(2) . . . . ?
C30 C31 C32 C33 0.6(4) . . . . ?
C31 C30 C35 C36 -56.9(3) . . . . ?
C31 C30 C35 C37 66.7(3) . . . . ?
C31 C32 C33 Rb1 68.5(2) . . . . ?
C31 C32 C33 C34 -0.1(4) . . . . ?
C32 C33 C34 Rb1 68.9(2) . . . . ?
C32 C33 C34 C29 -1.2(4) . . . . ?
C32 C33 C34 C38 173.7(2) . . . . ?
C33 C34 C38 C39 48.2(3) . . . . ?
C33 C34 C38 C40 -74.9(3) . . . . ?
C34 C29 C30 Rb1 67.31(18) . . . . ?
C34 C29 C30 C31 -1.5(3) . . . . ?
C34 C29 C30 C35 177.0(2) . . . . ?
C35 C30 C31 Rb1 -109.01(19) . . . . ?
C35 C30 C31 C32 -178.3(2) . . . . ?
C41 Si3 O2 Si4 -117.3(2) . . . . ?
C41 Si3 N3 Al2 137.58(15) . . . . ?
C41 Si3 N3 C29 -49.4(2) . . . . ?
C42 Si3 O2 Si4 128.3(2) . . . . ?
C42 Si3 N3 Al2 -99.37(18) . . . . ?
C42 Si3 N3 C29 73.6(2) . . . . ?
C43 C44 C45 Rb2 69.61(18) . . . . ?
C43 C44 C45 C46 -0.4(3) . . . . ?
C43 C44 C49 C50 -114.9(2) . . . . ?
C43 C44 C49 C51 122.1(3) . . . . ?
C43 C48 C54 C56 103.8(3) . . . . ?
C43 C48 C54 C57 -132.8(2) . . . . ?
C44 C43 C48 Rb2 -68.33(18) . . . . ?
C44 C43 C48 C47 0.1(3) . . . . ?
C44 C43 C48 C54 -179.5(2) . . . . ?
C44 C45 C46 Rb2 69.3(2) . . . . ?
C44 C45 C46 C47 0.6(4) . . . . ?
C45 C44 C49 C50 64.5(3) . . . . ?
C45 C44 C49 C51 -58.5(3) . . . . ?
C45 C46 C47 Rb2 67.8(2) . . . . ?
C45 C46 C47 C48 -0.4(4) . . . . ?
C46 C47 C48 Rb2 68.0(2) . . . . ?
C46 C47 C48 C43 0.1(4) . . . . ?
C46 C47 C48 C54 179.6(2) . . . . ?
C47 C48 C54 C56 -75.8(3) . . . . ?
C47 C48 C54 C57 47.6(3) . . . . ?
C48 C43 C44 Rb2 69.12(18) . . . . ?
C48 C43 C44 C45 0.1(3) . . . . ?
C48 C43 C44 C49 179.5(2) . . . . ?
C49 C44 C45 Rb2 -109.80(18) . . . . ?
C49 C44 C45 C46 -179.9(2) . . . . ?
C58 Si4 O2 Si3 -151.8(2) . . . . ?
C58 Si4 N4 Al2 154.09(13) . . . . ?
C58 Si4 N4 C43 -21.6(2) . . . . ?
C59 Si4 O2 Si3 90.6(2) . . . . ?
C59 Si4 N4 Al2 -80.79(19) . . . . ?
C59 Si4 N4 C43 103.5(2) . . . . ?
C60 C60 C61 C62 177.7(3) 7_566 . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
_chemical_properties_physical    
Air-sensitive,Moisture-sensitive,Oxygen-sensitive
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_alcs(non)_auto
_database_code_depnum_ccdc_archive 'CCDC 2111091'
loop_
_audit_author_name
_audit_author_address
'Alan Kennedy'
;University of Strathclyde
United Kingdom
;
_audit_update_record             
;
2021-09-21 deposited with the CCDC.	2021-12-20 downloaded from the CCDC.
;
_audit_creation_date             2021-08-25
_audit_creation_method           
;
Olex2 1.3
(compiled 2020.11.12 svn.r5f609507 for OlexSys, GUI svn.r6272)
;
_shelx_SHELXL_version_number     2014/7
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C59 H99 Al2 Cs2 N4 O2 Si4'
_chemical_formula_weight         1328.56
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
Al Al 0.2130 0.2455 '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'
Si Si 0.2541 0.3302 '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'
N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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'

_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.
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_H-M_alt        'I 1 2/a 1'
_space_group_name_Hall           '-I 2ya'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, y, -z'
'x+1/2, y+1/2, z+1/2'
'-x+1, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y, z'
'-x+1/2, -y+1/2, -z+1/2'
'x, -y+1/2, z+1/2'

_cell_length_a                   23.57265(17)
_cell_length_b                   17.60387(9)
_cell_length_c                   36.1042(2)
_cell_angle_alpha                90
_cell_angle_beta                 108.7249(8)
_cell_angle_gamma                90
_cell_volume                     14189.15(17)
_cell_formula_units_Z            8
_cell_measurement_reflns_used    63680
_cell_measurement_theta_min      2.562
_cell_measurement_theta_max      72.515
_cell_measurement_temperature    100(2)

_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    9.189
_exptl_absorpt_correction_T_min  0.13850
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.40.67a (Rigaku Oxford Diffraction, 2019)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;

_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'clear yellowish yellow'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   yellowish
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    1.244
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             5512
_exptl_crystal_size_max          0.5
_exptl_crystal_size_mid          0.4
_exptl_crystal_size_min          0.25
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.1063
_diffrn_reflns_av_unetI/netI     0.0383
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.996
_diffrn_reflns_limit_h_max       29
_diffrn_reflns_limit_h_min       -28
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       44
_diffrn_reflns_limit_l_min       -44
_diffrn_reflns_number            106812
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.996
_diffrn_reflns_theta_full        70.000
_diffrn_reflns_theta_max         72.685
_diffrn_reflns_theta_min         2.584
_diffrn_ambient_temperature      100(2)
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'Rigaky Synergy-i'
_diffrn_measurement_method       'omega scans'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_source                   microsource
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                13626
_reflns_number_total             14056
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       CrysalisPro
_computing_data_collection       CrysalisPro

_computing_data_reduction        CrysalisPro

_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2014/7 (Sheldrick, 2015)'
_computing_structure_solution    'olex2.solve 1.3 (Bourhis et al., 2015)'
_refine_diff_density_max         2.089
_refine_diff_density_min         -1.572
_refine_diff_density_rms         0.171
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.056
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     683
_refine_ls_number_reflns         14056
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0590
_refine_ls_R_factor_gt           0.0581
_refine_ls_restrained_S_all      1.056
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.1236P)²+22.0259P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1619
_refine_ls_wR_factor_ref         0.1633
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Ternary CH refined with riding coordinates:
 C7(H7), C10(H10), C21(H21), C24(H24), C35(H35), C38(H38), C49(H49), C54(H54)
2.b Secondary CH2 refined with riding coordinates:
 C60(H60A,H60B), C61(H61A,H61B)
2.c Aromatic/amide H refined with riding coordinates:
 C3(H3), C4(H4), C5(H5), C17(H17), C18(H18), C19(H19), C31(H31), C32(H32),
 C33(H33), C45(H45), C46(H46), C47(H47)
2.d Idealised Me refined as rotating group:
 C8(H8A,H8B,H8C), C9(H9A,H9B,H9C), C11(H11A,H11B,H11C), C12(H12A,H12B,H12C),
 C13(H13A,H13B,H13C), C14(H14A,H14B,H14C), C22(H22A,H22B,H22C), C23(H23A,H23B,
 H23C), C25(H25A,H25B,H25C), C26(H26A,H26B,H26C), C27(H27A,H27B,H27C), C28(H28A,
 H28B,H28C), C36(H36A,H36B,H36C), C37(H37A,H37B,H37C), C39(H39A,H39B,H39C),
 C40(H40A,H40B,H40C), C41(H41A,H41B,H41C), C42(H42A,H42B,H42C), C50(H50A,H50B,
 H50C), C51(H51A,H51B,H51C), C56(H56A,H56B,H56C), C57(H57A,H57B,H57C), C58(H58A,
 H58B,H58C), C59(H59A,H59B,H59C), C62(H62A,H62B,H62C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     iterative
_atom_sites_solution_secondary   ?
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
Al1 Al 0.63315(4) 0.87520(5) 0.61227(3) 0.0217(2) Uani 1 1 d . . . . .
Al2 Al 0.47847(4) 0.62054(5) 0.60834(3) 0.0217(2) Uani 1 1 d . . . . .
Cs1 Cs 0.64783(2) 0.65620(2) 0.62448(2) 0.02650(10) Uani 1 1 d . . . . .
Cs2 Cs 0.48019(2) 0.83885(2) 0.62929(2) 0.02753(10) Uani 1 1 d . . . . .
Si1 Si 0.72500(4) 0.95213(5) 0.57394(2) 0.02196(19) Uani 1 1 d . . . . .
Si2 Si 0.68751(4) 1.04460(5) 0.63331(3) 0.02336(19) Uani 1 1 d . . . . .
Si3 Si 0.44526(4) 0.44846(5) 0.62839(3) 0.02198(19) Uani 1 1 d . . . . .
Si4 Si 0.34785(4) 0.54733(5) 0.57427(2) 0.02144(18) Uani 1 1 d . . . . .
O1 O 0.71857(13) 1.02475(14) 0.60006(9) 0.0347(6) Uani 1 1 d . . . . .
O2 O 0.37864(11) 0.47509(14) 0.60172(10) 0.0382(7) Uani 1 1 d . . . . .
N1 N 0.69601(12) 0.87438(14) 0.59007(7) 0.0192(5) Uani 1 1 d . . . . .
N2 N 0.63317(12) 0.97713(15) 0.63003(8) 0.0200(5) Uani 1 1 d . . . . .
N3 N 0.49461(12) 0.51755(15) 0.62426(7) 0.0192(5) Uani 1 1 d . . . . .
N4 N 0.39405(11) 0.62453(15) 0.58945(7) 0.0190(5) Uani 1 1 d . . . . .
C1 C 0.71946(13) 0.80052(17) 0.58726(8) 0.0171(6) Uani 1 1 d . . . . .
C2 C 0.76840(14) 0.77216(19) 0.61895(9) 0.0220(6) Uani 1 1 d . . . . .
C3 C 0.79057(15) 0.7000(2) 0.61667(10) 0.0286(7) Uani 1 1 d . . . . .
H3 H 0.8233 0.6818 0.6378 0.034 Uiso 1 1 calc R U . . .
C4 C 0.76643(17) 0.65337(19) 0.58433(12) 0.0286(8) Uani 1 1 d . . . . .
H4 H 0.7821 0.6040 0.5833 0.034 Uiso 1 1 calc R U . . .
C5 C 0.71912(15) 0.6806(2) 0.55375(10) 0.0254(6) Uani 1 1 d . . . . .
H5 H 0.7022 0.6490 0.5316 0.030 Uiso 1 1 calc R U . . .
C6 C 0.69509(13) 0.75324(17) 0.55424(8) 0.0184(6) Uani 1 1 d . . . . .
C7 C 0.79595(16) 0.8193(2) 0.65557(10) 0.0291(7) Uani 1 1 d . . . . .
H7 H 0.7844 0.8735 0.6490 0.035 Uiso 1 1 calc R U . . .
C8 C 0.86453(18) 0.8150(3) 0.67021(12) 0.0409(9) Uani 1 1 d . . . . .
H8A H 0.8771 0.7638 0.6801 0.061 Uiso 1 1 calc R U . . .
H8B H 0.8805 0.8521 0.6912 0.061 Uiso 1 1 calc R U . . .
H8C H 0.8799 0.8263 0.6486 0.061 Uiso 1 1 calc R U . . .
C9 C 0.77124(19) 0.7952(3) 0.68842(10) 0.0403(9) Uani 1 1 d . . . . .
H9A H 0.7280 0.8044 0.6801 0.061 Uiso 1 1 calc R U . . .
H9B H 0.7909 0.8248 0.7120 0.061 Uiso 1 1 calc R U . . .
H9C H 0.7791 0.7410 0.6940 0.061 Uiso 1 1 calc R U . . .
C10 C 0.64274(15) 0.77762(18) 0.51918(9) 0.0224(6) Uani 1 1 d . . . . .
H10 H 0.6337 0.8321 0.5228 0.027 Uiso 1 1 calc R U . . .
C11 C 0.58666(15) 0.7309(2) 0.51586(10) 0.0309(8) Uani 1 1 d . . . . .
H11A H 0.5947 0.6771 0.5125 0.046 Uiso 1 1 calc R U . . .
H11B H 0.5536 0.7484 0.4933 0.046 Uiso 1 1 calc R U . . .
H11C H 0.5758 0.7372 0.5397 0.046 Uiso 1 1 calc R U . . .
C12 C 0.65798(18) 0.7707(3) 0.48115(10) 0.0363(8) Uani 1 1 d . . . . .
H12A H 0.6943 0.8000 0.4834 0.054 Uiso 1 1 calc R U . . .
H12B H 0.6247 0.7906 0.4594 0.054 Uiso 1 1 calc R U . . .
H12C H 0.6647 0.7172 0.4763 0.054 Uiso 1 1 calc R U . . .
C13 C 0.80739(17) 0.9408(2) 0.58105(11) 0.0326(8) Uani 1 1 d . . . . .
H13A H 0.8198 0.9790 0.5655 0.049 Uiso 1 1 calc R U . . .
H13B H 0.8148 0.8899 0.5726 0.049 Uiso 1 1 calc R U . . .
H13C H 0.8304 0.9475 0.6088 0.049 Uiso 1 1 calc R U . . .
C14 C 0.6849(2) 0.9785(3) 0.52246(13) 0.0508(12) Uani 1 1 d . . . . .
H14A H 0.6426 0.9882 0.5193 0.076 Uiso 1 1 calc R U . . .
H14B H 0.6879 0.9369 0.5052 0.076 Uiso 1 1 calc R U . . .
H14C H 0.7030 1.0245 0.5157 0.076 Uiso 1 1 calc R U . . .
C15 C 0.58393(14) 0.99417(17) 0.64332(9) 0.0203(6) Uani 1 1 d . . . . .
C16 C 0.58581(16) 0.97731(19) 0.68222(9) 0.0253(7) Uani 1 1 d . . . . .
C17 C 0.53601(17) 0.9924(2) 0.69376(10) 0.0312(7) Uani 1 1 d . . . . .
H17 H 0.5376 0.9808 0.7198 0.037 Uiso 1 1 calc R U . . .
C18 C 0.48402(18) 1.0238(2) 0.66835(11) 0.0342(8) Uani 1 1 d . . . . .
H18 H 0.4506 1.0342 0.6768 0.041 Uiso 1 1 calc R U . . .
C19 C 0.48193(17) 1.0399(2) 0.63002(11) 0.0294(8) Uani 1 1 d . . . . .
H19 H 0.4465 1.0611 0.6123 0.035 Uiso 1 1 calc R U . . .
C20 C 0.53044(16) 1.02543(19) 0.61723(10) 0.0266(7) Uani 1 1 d . . . . .
C21 C 0.64069(16) 0.9417(2) 0.71185(9) 0.0299(7) Uani 1 1 d . . . . .
H21 H 0.6728 0.9382 0.6994 0.036 Uiso 1 1 calc R U . . .
C22 C 0.66447(19) 0.9912(3) 0.74857(11) 0.0473(12) Uani 1 1 d . . . . .
H22A H 0.6709 1.0431 0.7409 0.071 Uiso 1 1 calc R U . . .
H22B H 0.7025 0.9703 0.7655 0.071 Uiso 1 1 calc R U . . .
H22C H 0.6352 0.9918 0.7627 0.071 Uiso 1 1 calc R U . . .
C23 C 0.6268(2) 0.8601(3) 0.72239(13) 0.0438(10) Uani 1 1 d . . . . .
H23A H 0.5944 0.8617 0.7339 0.066 Uiso 1 1 calc R U . . .
H23B H 0.6627 0.8382 0.7413 0.066 Uiso 1 1 calc R U . . .
H23C H 0.6145 0.8288 0.6987 0.066 Uiso 1 1 calc R U . . .
C24 C 0.52248(17) 1.0379(2) 0.57390(10) 0.0321(8) Uani 1 1 d . . . . .
H24 H 0.5631 1.0364 0.5707 0.039 Uiso 1 1 calc R U . . .
C25 C 0.4854(2) 0.9728(3) 0.54965(11) 0.0412(9) Uani 1 1 d . . . . .
H25A H 0.4472 0.9688 0.5549 0.062 Uiso 1 1 calc R U . . .
H25B H 0.5076 0.9250 0.5567 0.062 Uiso 1 1 calc R U . . .
H25C H 0.4777 0.9830 0.5218 0.062 Uiso 1 1 calc R U . . .
C26 C 0.4937(2) 1.1141(3) 0.55821(14) 0.0497(11) Uani 1 1 d . . . . .
H26A H 0.4518 1.1140 0.5574 0.074 Uiso 1 1 calc R U . . .
H26B H 0.4956 1.1220 0.5318 0.074 Uiso 1 1 calc R U . . .
H26C H 0.5154 1.1550 0.5754 0.074 Uiso 1 1 calc R U . . .
C27 C 0.74947(19) 1.0433(3) 0.68124(13) 0.0439(10) Uani 1 1 d . . . . .
H27A H 0.7629 0.9909 0.6879 0.066 Uiso 1 1 calc R U . . .
H27B H 0.7349 1.0642 0.7017 0.066 Uiso 1 1 calc R U . . .
H27C H 0.7830 1.0741 0.6792 0.066 Uiso 1 1 calc R U . . .
C28 C 0.6574(2) 1.1431(2) 0.62436(15) 0.0419(10) Uani 1 1 d . . . . .
H28A H 0.6907 1.1794 0.6312 0.063 Uiso 1 1 calc R U . . .
H28B H 0.6317 1.1528 0.6405 0.063 Uiso 1 1 calc R U . . .
H28C H 0.6340 1.1490 0.5967 0.063 Uiso 1 1 calc R U . . .
C29 C 0.55800(14) 0.50130(17) 0.63852(8) 0.0190(6) Uani 1 1 d . . . . .
C30 C 0.59317(14) 0.51916(18) 0.67702(9) 0.0221(6) Uani 1 1 d . . . . .
C31 C 0.65498(15) 0.5041(2) 0.68919(10) 0.0283(7) Uani 1 1 d . . . . .
H31 H 0.6786 0.5164 0.7152 0.034 Uiso 1 1 calc R U . . .
C32 C 0.68223(16) 0.4719(2) 0.66453(11) 0.0298(7) Uani 1 1 d . . . . .
H32 H 0.7239 0.4608 0.6736 0.036 Uiso 1 1 calc R U . . .
C33 C 0.64804(16) 0.4559(2) 0.62616(10) 0.0264(7) Uani 1 1 d . . . . .
H33 H 0.6669 0.4350 0.6088 0.032 Uiso 1 1 calc R U . . .
C34 C 0.58625(14) 0.46982(18) 0.61262(9) 0.0222(6) Uani 1 1 d . . . . .
C35 C 0.56737(16) 0.5567(2) 0.70597(9) 0.0296(7) Uani 1 1 d . . . . .
H35 H 0.5228 0.5577 0.6939 0.036 Uiso 1 1 calc R U . . .
C36 C 0.58215(19) 0.5125(3) 0.74455(10) 0.0439(10) Uani 1 1 d . . . . .
H36A H 0.5718 0.4589 0.7390 0.066 Uiso 1 1 calc R U . . .
H36B H 0.5591 0.5335 0.7604 0.066 Uiso 1 1 calc R U . . .
H36C H 0.6250 0.5171 0.7589 0.066 Uiso 1 1 calc R U . . .
C37 C 0.58921(18) 0.6393(3) 0.71394(11) 0.0368(8) Uani 1 1 d . . . . .
H37A H 0.6330 0.6400 0.7249 0.055 Uiso 1 1 calc R U . . .
H37B H 0.5720 0.6624 0.7326 0.055 Uiso 1 1 calc R U . . .
H37C H 0.5765 0.6681 0.6894 0.055 Uiso 1 1 calc R U . . .
C38 C 0.55215(16) 0.4582(2) 0.56922(10) 0.0291(7) Uani 1 1 d . . . . .
H38 H 0.5083 0.4593 0.5656 0.035 Uiso 1 1 calc R U . . .
C39 C 0.5667(2) 0.3824(2) 0.55337(12) 0.0424(10) Uani 1 1 d . . . . .
H39A H 0.6084 0.3828 0.5536 0.064 Uiso 1 1 calc R U . . .
H39B H 0.5400 0.3751 0.5265 0.064 Uiso 1 1 calc R U . . .
H39C H 0.5610 0.3407 0.5698 0.064 Uiso 1 1 calc R U . . .
C40 C 0.56655(19) 0.5244(2) 0.54561(10) 0.0376(9) Uani 1 1 d . . . . .
H40A H 0.5516 0.5721 0.5530 0.056 Uiso 1 1 calc R U . . .
H40B H 0.5472 0.5153 0.5176 0.056 Uiso 1 1 calc R U . . .
H40C H 0.6100 0.5279 0.5512 0.056 Uiso 1 1 calc R U . . .
C41 C 0.46013(19) 0.3532(2) 0.61137(15) 0.0391(9) Uani 1 1 d . . . . .
H41A H 0.4317 0.3164 0.6157 0.059 Uiso 1 1 calc R U . . .
H41B H 0.5011 0.3376 0.6260 0.059 Uiso 1 1 calc R U . . .
H41C H 0.4555 0.3555 0.5834 0.059 Uiso 1 1 calc R U . . .
C42 C 0.4415(2) 0.4362(3) 0.67905(13) 0.0534(13) Uani 1 1 d . . . . .
H42A H 0.4334 0.4855 0.6890 0.080 Uiso 1 1 calc R U . . .
H42B H 0.4797 0.4163 0.6961 0.080 Uiso 1 1 calc R U . . .
H42C H 0.4093 0.4006 0.6785 0.080 Uiso 1 1 calc R U . . .
C43 C 0.36907(13) 0.69782(18) 0.58972(9) 0.0200(6) Uani 1 1 d . . . . .
C44 C 0.35993(13) 0.74895(18) 0.55791(9) 0.0214(6) Uani 1 1 d . . . . .
C45 C 0.33691(15) 0.8212(2) 0.56015(10) 0.0272(7) Uani 1 1 d . . . . .
H45 H 0.3315 0.8554 0.5389 0.033 Uiso 1 1 calc R U . . .
C46 C 0.32171(18) 0.84471(18) 0.59244(12) 0.0308(8) Uani 1 1 d . . . . .
H46 H 0.3052 0.8937 0.5931 0.037 Uiso 1 1 calc R U . . .
C47 C 0.33115(16) 0.7951(2) 0.62382(11) 0.0289(7) Uani 1 1 d . . . . .
H47 H 0.3216 0.8110 0.6463 0.035 Uiso 1 1 calc R U . . .
C48 C 0.35427(14) 0.72246(19) 0.62303(10) 0.0233(6) Uani 1 1 d . . . . .
C49 C 0.37578(15) 0.72832(19) 0.52130(9) 0.0245(6) Uani 1 1 d . . . . .
H49 H 0.3889 0.6740 0.5236 0.029 Uiso 1 1 calc R U . . .
C50 C 0.42742(18) 0.7770(2) 0.51762(11) 0.0337(8) Uani 1 1 d . . . . .
H50A H 0.4166 0.8308 0.5172 0.051 Uiso 1 1 calc R U . . .
H50B H 0.4353 0.7641 0.4933 0.051 Uiso 1 1 calc R U . . .
H50C H 0.4634 0.7673 0.5400 0.051 Uiso 1 1 calc R U . . .
C51 C 0.32186(18) 0.7364(3) 0.48426(11) 0.0416(10) Uani 1 1 d . . . . .
H51A H 0.2898 0.7023 0.4858 0.062 Uiso 1 1 calc R U . . .
H51B H 0.3337 0.7231 0.4614 0.062 Uiso 1 1 calc R U . . .
H51C H 0.3075 0.7890 0.4818 0.062 Uiso 1 1 calc R U . . .
C54 C 0.36461(17) 0.6713(2) 0.65869(10) 0.0286(7) Uani 1 1 d . . . . .
H54 H 0.3695 0.6182 0.6504 0.034 Uiso 1 1 calc R U . . .
C56 C 0.42224(19) 0.6932(3) 0.69110(11) 0.0403(9) Uani 1 1 d . . . . .
H56A H 0.4565 0.6873 0.6815 0.060 Uiso 1 1 calc R U . . .
H56B H 0.4275 0.6601 0.7138 0.060 Uiso 1 1 calc R U . . .
H56C H 0.4196 0.7462 0.6987 0.060 Uiso 1 1 calc R U . . .
C57 C 0.3114(2) 0.6719(3) 0.67465(13) 0.0382(9) Uani 1 1 d . . . . .
H57A H 0.3088 0.7217 0.6862 0.057 Uiso 1 1 calc R U . . .
H57B H 0.3172 0.6325 0.6947 0.057 Uiso 1 1 calc R U . . .
H57C H 0.2742 0.6620 0.6533 0.057 Uiso 1 1 calc R U . . .
C58 C 0.27272(15) 0.5617(2) 0.58025(11) 0.0286(7) Uani 1 1 d . . . . .
H58A H 0.2447 0.5234 0.5650 0.043 Uiso 1 1 calc R U . . .
H58B H 0.2578 0.6125 0.5709 0.043 Uiso 1 1 calc R U . . .
H58C H 0.2762 0.5569 0.6079 0.043 Uiso 1 1 calc R U . . .
C59 C 0.3391(2) 0.5184(3) 0.52359(14) 0.0526(13) Uani 1 1 d . . . . .
H59A H 0.3786 0.5080 0.5212 0.079 Uiso 1 1 calc R U . . .
H59B H 0.3197 0.5593 0.5056 0.079 Uiso 1 1 calc R U . . .
H59C H 0.3145 0.4724 0.5171 0.079 Uiso 1 1 calc R U . . .
C60 C 0.2804(2) 0.7436(3) 0.76521(12) 0.0458(10) Uani 1 1 d . . . . .
H60A H 0.2748 0.7365 0.7910 0.055 Uiso 1 1 calc R U . . .
H60B H 0.2976 0.6959 0.7588 0.055 Uiso 1 1 calc R U . . .
C61 C 0.3247(3) 0.8068(3) 0.76840(15) 0.0587(13) Uani 1 1 d . . . . .
H61A H 0.3071 0.8549 0.7739 0.070 Uiso 1 1 calc R U . . .
H61B H 0.3317 0.8125 0.7429 0.070 Uiso 1 1 calc R U . . .
C62 C 0.3844(3) 0.7945(4) 0.7999(2) 0.0751(18) Uani 1 1 d . . . . .
H62A H 0.3782 0.7901 0.8253 0.113 Uiso 1 1 calc R U . . .
H62B H 0.4108 0.8376 0.8003 0.113 Uiso 1 1 calc R U . . .
H62C H 0.4028 0.7477 0.7943 0.113 Uiso 1 1 calc R U . . .


_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
Al1 Cs1 3.8833(10) . ?
Al1 Cs2 3.9001(10) . ?
Al1 N1 1.898(3) . ?
Al1 N2 1.905(3) . ?
Al2 Cs1 3.8960(9) . ?
Al2 Cs2 3.9145(10) . ?
Al2 N3 1.903(3) . ?
Al2 N4 1.886(3) . ?
Cs1 C1 3.545(3) . ?
Cs1 C2 3.557(3) . ?
Cs1 C3 3.550(4) . ?
Cs1 C4 3.539(4) . ?
Cs1 C5 3.505(3) . ?
Cs1 C6 3.522(3) . ?
Cs1 C29 3.587(3) . ?
Cs1 C30 3.556(3) . ?
Cs1 C31 3.522(3) . ?
Cs1 C32 3.538(3) . ?
Cs1 C33 3.527(4) . ?
Cs1 C34 3.558(3) . ?
Cs2 C15 3.594(3) . ?
Cs2 C16 3.569(3) . ?
Cs2 C17 3.533(4) . ?
Cs2 C18 3.538(4) . ?
Cs2 C19 3.539(4) . ?
Cs2 C20 3.565(3) . ?
Cs2 C43 3.559(3) . ?
Cs2 C44 3.534(3) . ?
Cs2 C45 3.510(3) . ?
Cs2 C46 3.542(4) . ?
Cs2 C47 3.540(4) . ?
Cs2 C48 3.554(3) . ?
Si1 O1 1.624(2) . ?
Si1 N1 1.713(3) . ?
Si1 C13 1.886(4) . ?
Si1 C14 1.854(4) . ?
Si2 O1 1.632(3) . ?
Si2 N2 1.723(3) . ?
Si2 C27 1.872(4) . ?
Si2 C28 1.863(4) . ?
Si3 O2 1.626(3) . ?
Si3 N3 1.722(3) . ?
Si3 C41 1.857(4) . ?
Si3 C42 1.872(4) . ?
Si4 O2 1.632(3) . ?
Si4 N4 1.718(3) . ?
Si4 C58 1.869(4) . ?
Si4 C59 1.846(4) . ?
N1 C1 1.429(4) . ?
N2 C15 1.423(4) . ?
N3 C29 1.444(4) . ?
N4 C43 1.419(4) . ?
C1 C2 1.429(4) . ?
C1 C6 1.416(4) . ?
C2 C3 1.387(5) . ?
C2 C7 1.519(4) . ?
C3 H3 0.9500 . ?
C3 C4 1.390(5) . ?
C4 H4 0.9500 . ?
C4 C5 1.379(5) . ?
C5 H5 0.9500 . ?
C5 C6 1.401(5) . ?
C6 C10 1.519(4) . ?
C7 H7 1.0000 . ?
C7 C8 1.533(5) . ?
C7 C9 1.539(5) . ?
C8 H8A 0.9800 . ?
C8 H8B 0.9800 . ?
C8 H8C 0.9800 . ?
C9 H9A 0.9800 . ?
C9 H9B 0.9800 . ?
C9 H9C 0.9800 . ?
C10 H10 1.0000 . ?
C10 C11 1.529(5) . ?
C10 C12 1.532(4) . ?
C11 H11A 0.9800 . ?
C11 H11B 0.9800 . ?
C11 H11C 0.9800 . ?
C12 H12A 0.9800 . ?
C12 H12B 0.9800 . ?
C12 H12C 0.9800 . ?
C13 H13A 0.9800 . ?
C13 H13B 0.9800 . ?
C13 H13C 0.9800 . ?
C14 H14A 0.9800 . ?
C14 H14B 0.9800 . ?
C14 H14C 0.9800 . ?
C15 C16 1.423(4) . ?
C15 C20 1.420(5) . ?
C16 C17 1.391(5) . ?
C16 C21 1.524(5) . ?
C17 H17 0.9500 . ?
C17 C18 1.389(6) . ?
C18 H18 0.9500 . ?
C18 C19 1.398(5) . ?
C19 H19 0.9500 . ?
C19 C20 1.387(5) . ?
C20 C24 1.530(5) . ?
C21 H21 1.0000 . ?
C21 C22 1.534(5) . ?
C21 C23 1.547(6) . ?
C22 H22A 0.9800 . ?
C22 H22B 0.9800 . ?
C22 H22C 0.9800 . ?
C23 H23A 0.9800 . ?
C23 H23B 0.9800 . ?
C23 H23C 0.9800 . ?
C24 H24 1.0000 . ?
C24 C25 1.533(6) . ?
C24 C26 1.527(5) . ?
C25 H25A 0.9800 . ?
C25 H25B 0.9800 . ?
C25 H25C 0.9800 . ?
C26 H26A 0.9800 . ?
C26 H26B 0.9800 . ?
C26 H26C 0.9800 . ?
C27 H27A 0.9800 . ?
C27 H27B 0.9800 . ?
C27 H27C 0.9800 . ?
C28 H28A 0.9800 . ?
C28 H28B 0.9800 . ?
C28 H28C 0.9800 . ?
C29 C30 1.407(4) . ?
C29 C34 1.423(4) . ?
C30 C31 1.406(5) . ?
C30 C35 1.519(5) . ?
C31 H31 0.9500 . ?
C31 C32 1.376(5) . ?
C32 H32 0.9500 . ?
C32 C33 1.390(5) . ?
C33 H33 0.9500 . ?
C33 C34 1.401(5) . ?
C34 C38 1.528(4) . ?
C35 H35 1.0000 . ?
C35 C36 1.534(5) . ?
C35 C37 1.539(6) . ?
C36 H36A 0.9800 . ?
C36 H36B 0.9800 . ?
C36 H36C 0.9800 . ?
C37 H37A 0.9800 . ?
C37 H37B 0.9800 . ?
C37 H37C 0.9800 . ?
C38 H38 1.0000 . ?
C38 C39 1.533(5) . ?
C38 C40 1.545(6) . ?
C39 H39A 0.9800 . ?
C39 H39B 0.9800 . ?
C39 H39C 0.9800 . ?
C40 H40A 0.9800 . ?
C40 H40B 0.9800 . ?
C40 H40C 0.9800 . ?
C41 H41A 0.9800 . ?
C41 H41B 0.9800 . ?
C41 H41C 0.9800 . ?
C42 H42A 0.9800 . ?
C42 H42B 0.9800 . ?
C42 H42C 0.9800 . ?
C43 C44 1.420(4) . ?
C43 C48 1.423(4) . ?
C44 C45 1.396(5) . ?
C44 C49 1.528(4) . ?
C45 H45 0.9500 . ?
C45 C46 1.388(5) . ?
C46 H46 0.9500 . ?
C46 C47 1.391(5) . ?
C47 H47 0.9500 . ?
C47 C48 1.393(5) . ?
C48 C54 1.525(5) . ?
C49 H49 1.0000 . ?
C49 C50 1.529(5) . ?
C49 C51 1.528(4) . ?
C50 H50A 0.9800 . ?
C50 H50B 0.9800 . ?
C50 H50C 0.9800 . ?
C51 H51A 0.9800 . ?
C51 H51B 0.9800 . ?
C51 H51C 0.9800 . ?
C54 H54 1.0000 . ?
C54 C56 1.530(5) . ?
C54 C57 1.541(5) . ?
C56 H56A 0.9800 . ?
C56 H56B 0.9800 . ?
C56 H56C 0.9800 . ?
C57 H57A 0.9800 . ?
C57 H57B 0.9800 . ?
C57 H57C 0.9800 . ?
C58 H58A 0.9800 . ?
C58 H58B 0.9800 . ?
C58 H58C 0.9800 . ?
C59 H59A 0.9800 . ?
C59 H59B 0.9800 . ?
C59 H59C 0.9800 . ?
C60 C60 1.518(9) 7_566 ?
C60 H60A 0.9900 . ?
C60 H60B 0.9900 . ?
C60 C61 1.506(7) . ?
C61 H61A 0.9900 . ?
C61 H61B 0.9900 . ?
C61 C62 1.513(8) . ?
C62 H62A 0.9800 . ?
C62 H62B 0.9800 . ?
C62 H62C 0.9800 . ?

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
Cs1 Al1 Cs2 82.670(19) . . ?
N1 Al1 Cs1 89.26(8) . . ?
N1 Al1 Cs2 162.19(9) . . ?
N1 Al1 N2 103.50(12) . . ?
N2 Al1 Cs1 155.01(9) . . ?
N2 Al1 Cs2 90.11(9) . . ?
Cs1 Al2 Cs2 82.320(18) . . ?
N3 Al2 Cs1 90.71(9) . . ?
N3 Al2 Cs2 152.65(9) . . ?
N4 Al2 Cs1 163.63(9) . . ?
N4 Al2 Cs2 88.72(9) . . ?
N4 Al2 N3 103.30(12) . . ?
C1 Cs1 C2 23.21(7) . . ?
C1 Cs1 C3 40.14(7) . . ?
C1 Cs1 C29 166.65(7) . . ?
C1 Cs1 C30 170.58(7) . . ?
C1 Cs1 C34 147.23(7) . . ?
C2 Cs1 C29 164.35(7) . . ?
C2 Cs1 C34 145.60(8) . . ?
C3 Cs1 C2 22.51(8) . . ?
C3 Cs1 C29 142.54(8) . . ?
C3 Cs1 C30 134.79(8) . . ?
C3 Cs1 C34 123.44(8) . . ?
C4 Cs1 C1 47.14(7) . . ?
C4 Cs1 C2 40.04(8) . . ?
C4 Cs1 C3 22.62(8) . . ?
C4 Cs1 C29 128.83(7) . . ?
C4 Cs1 C30 132.70(8) . . ?
C4 Cs1 C34 106.45(8) . . ?
C5 Cs1 C1 40.35(7) . . ?
C5 Cs1 C2 46.37(8) . . ?
C5 Cs1 C3 39.39(8) . . ?
C5 Cs1 C4 22.58(8) . . ?
C5 Cs1 C6 23.00(7) . . ?
C5 Cs1 C29 129.72(7) . . ?
C5 Cs1 C30 144.32(8) . . ?
C5 Cs1 C31 130.12(8) . . ?
C5 Cs1 C32 108.03(8) . . ?
C5 Cs1 C33 97.86(8) . . ?
C5 Cs1 C34 107.33(8) . . ?
C6 Cs1 C1 23.11(7) . . ?
C6 Cs1 C2 40.36(7) . . ?
C6 Cs1 C3 46.42(7) . . ?
C6 Cs1 C4 40.34(7) . . ?
C6 Cs1 C29 143.90(7) . . ?
C6 Cs1 C30 164.93(7) . . ?
C6 Cs1 C31 152.57(8) . . ?
C6 Cs1 C32 130.92(8) . . ?
C6 Cs1 C33 119.89(8) . . ?
C6 Cs1 C34 124.88(7) . . ?
C30 Cs1 C2 148.46(7) . . ?
C30 Cs1 C29 22.71(7) . . ?
C30 Cs1 C34 40.08(7) . . ?
C31 Cs1 C1 150.36(7) . . ?
C31 Cs1 C2 127.21(7) . . ?
C31 Cs1 C3 111.90(8) . . ?
C31 Cs1 C4 112.66(8) . . ?
C31 Cs1 C29 39.91(7) . . ?
C31 Cs1 C30 22.90(7) . . ?
C31 Cs1 C32 22.47(9) . . ?
C31 Cs1 C33 39.54(8) . . ?
C31 Cs1 C34 46.32(8) . . ?
C32 Cs1 C1 137.51(8) . . ?
C32 Cs1 C2 117.83(8) . . ?
C32 Cs1 C3 97.63(8) . . ?
C32 Cs1 C4 92.69(8) . . ?
C32 Cs1 C29 46.64(8) . . ?
C32 Cs1 C30 40.08(8) . . ?
C32 Cs1 C34 40.07(8) . . ?
C33 Cs1 C1 136.46(8) . . ?
C33 Cs1 C2 125.32(8) . . ?
C33 Cs1 C3 102.84(8) . . ?
C33 Cs1 C4 89.77(8) . . ?
C33 Cs1 C29 40.10(8) . . ?
C33 Cs1 C30 46.48(8) . . ?
C33 Cs1 C32 22.69(8) . . ?
C33 Cs1 C34 22.81(8) . . ?
C34 Cs1 C29 22.97(7) . . ?
C16 Cs2 C15 22.91(7) . . ?
C17 Cs2 C15 39.89(8) . . ?
C17 Cs2 C16 22.58(8) . . ?
C17 Cs2 C18 22.65(9) . . ?
C17 Cs2 C19 39.59(9) . . ?
C17 Cs2 C20 46.20(8) . . ?
C17 Cs2 C43 150.28(8) . . ?
C17 Cs2 C44 149.85(8) . . ?
C17 Cs2 C46 110.49(8) . . ?
C17 Cs2 C47 110.88(8) . . ?
C17 Cs2 C48 127.57(8) . . ?
C18 Cs2 C15 46.73(8) . . ?
C18 Cs2 C16 39.99(9) . . ?
C18 Cs2 C19 22.78(9) . . ?
C18 Cs2 C20 39.99(8) . . ?
C18 Cs2 C43 136.34(8) . . ?
C18 Cs2 C46 90.68(9) . . ?
C18 Cs2 C47 96.92(9) . . ?
C18 Cs2 C48 118.03(8) . . ?
C19 Cs2 C15 39.87(8) . . ?
C19 Cs2 C16 46.27(8) . . ?
C19 Cs2 C20 22.52(8) . . ?
C19 Cs2 C43 134.90(8) . . ?
C19 Cs2 C46 88.97(8) . . ?
C19 Cs2 C47 103.13(8) . . ?
C19 Cs2 C48 125.77(8) . . ?
C20 Cs2 C15 22.88(7) . . ?
C20 Cs2 C16 40.03(8) . . ?
C43 Cs2 C15 165.28(7) . . ?
C43 Cs2 C16 171.31(7) . . ?
C43 Cs2 C20 145.51(7) . . ?
C44 Cs2 C15 142.52(7) . . ?
C44 Cs2 C16 162.67(8) . . ?
C44 Cs2 C18 127.92(8) . . ?
C44 Cs2 C19 117.25(8) . . ?
C44 Cs2 C20 122.93(8) . . ?
C44 Cs2 C43 23.10(7) . . ?
C44 Cs2 C46 40.25(8) . . ?
C44 Cs2 C47 46.57(8) . . ?
C44 Cs2 C48 40.31(7) . . ?
C45 Cs2 C15 128.55(8) . . ?
C45 Cs2 C16 141.98(8) . . ?
C45 Cs2 C17 127.30(9) . . ?
C45 Cs2 C18 105.10(9) . . ?
C45 Cs2 C19 95.73(8) . . ?
C45 Cs2 C20 106.03(8) . . ?
C45 Cs2 C43 40.24(8) . . ?
C45 Cs2 C44 22.85(8) . . ?
C45 Cs2 C46 22.70(9) . . ?
C45 Cs2 C47 39.64(8) . . ?
C45 Cs2 C48 46.41(8) . . ?
C46 Cs2 C15 128.22(7) . . ?
C46 Cs2 C16 130.66(8) . . ?
C46 Cs2 C20 106.20(8) . . ?
C46 Cs2 C43 46.99(7) . . ?
C46 Cs2 C48 40.02(8) . . ?
C47 Cs2 C15 142.35(8) . . ?
C47 Cs2 C16 133.46(8) . . ?
C47 Cs2 C20 123.81(8) . . ?
C47 Cs2 C43 40.20(8) . . ?
C47 Cs2 C46 22.65(9) . . ?
C47 Cs2 C48 22.66(8) . . ?
C48 Cs2 C15 164.63(7) . . ?
C48 Cs2 C16 148.51(8) . . ?
C48 Cs2 C20 145.77(8) . . ?
C48 Cs2 C43 23.08(7) . . ?
O1 Si1 N1 108.05(13) . . ?
O1 Si1 C13 106.76(16) . . ?
O1 Si1 C14 105.8(2) . . ?
N1 Si1 C13 112.00(15) . . ?
N1 Si1 C14 114.23(17) . . ?
C14 Si1 C13 109.5(2) . . ?
O1 Si2 N2 107.52(14) . . ?
O1 Si2 C27 106.03(19) . . ?
O1 Si2 C28 107.92(18) . . ?
N2 Si2 C27 113.42(17) . . ?
N2 Si2 C28 113.36(18) . . ?
C28 Si2 C27 108.2(2) . . ?
O2 Si3 N3 107.22(13) . . ?
O2 Si3 C41 108.27(18) . . ?
O2 Si3 C42 105.8(2) . . ?
N3 Si3 C41 113.85(17) . . ?
N3 Si3 C42 114.28(16) . . ?
C41 Si3 C42 107.0(2) . . ?
O2 Si4 N4 108.06(13) . . ?
O2 Si4 C58 106.79(16) . . ?
O2 Si4 C59 105.8(2) . . ?
N4 Si4 C58 112.52(15) . . ?
N4 Si4 C59 113.08(17) . . ?
C59 Si4 C58 110.1(2) . . ?
Si1 O1 Si2 137.99(16) . . ?
Si3 O2 Si4 137.82(17) . . ?
Si1 N1 Al1 126.03(15) . . ?
C1 N1 Al1 114.2(2) . . ?
C1 N1 Si1 119.8(2) . . ?
Si2 N2 Al1 126.31(16) . . ?
C15 N2 Al1 113.6(2) . . ?
C15 N2 Si2 120.0(2) . . ?
Si3 N3 Al2 128.60(15) . . ?
C29 N3 Al2 112.3(2) . . ?
C29 N3 Si3 118.7(2) . . ?
Si4 N4 Al2 124.97(15) . . ?
C43 N4 Al2 115.0(2) . . ?
C43 N4 Si4 120.0(2) . . ?
N1 C1 Cs1 112.52(18) . . ?
C2 C1 Cs1 78.84(18) . . ?
C2 C1 N1 119.5(3) . . ?
C6 C1 Cs1 77.53(17) . . ?
C6 C1 N1 122.2(3) . . ?
C6 C1 C2 118.3(3) . . ?
C1 C2 Cs1 77.95(17) . . ?
C1 C2 C7 121.0(3) . . ?
C3 C2 Cs1 78.5(2) . . ?
C3 C2 C1 119.7(3) . . ?
C3 C2 C7 119.2(3) . . ?
C7 C2 Cs1 113.0(2) . . ?
Cs1 C3 H3 114.0 . . ?
C2 C3 Cs1 79.0(2) . . ?
C2 C3 H3 119.0 . . ?
C2 C3 C4 122.0(3) . . ?
C4 C3 Cs1 78.2(2) . . ?
C4 C3 H3 119.0 . . ?
Cs1 C4 H4 113.4 . . ?
C3 C4 Cs1 79.2(2) . . ?
C3 C4 H4 120.8 . . ?
C5 C4 Cs1 77.3(2) . . ?
C5 C4 C3 118.4(3) . . ?
C5 C4 H4 120.8 . . ?
Cs1 C5 H5 111.9 . . ?
C4 C5 Cs1 80.1(2) . . ?
C4 C5 H5 118.9 . . ?
C4 C5 C6 122.2(3) . . ?
C6 C5 Cs1 79.19(19) . . ?
C6 C5 H5 118.9 . . ?
C1 C6 Cs1 79.36(17) . . ?
C1 C6 C10 122.5(3) . . ?
C5 C6 Cs1 77.81(19) . . ?
C5 C6 C1 119.4(3) . . ?
C5 C6 C10 118.1(3) . . ?
C10 C6 Cs1 112.14(19) . . ?
C2 C7 H7 107.8 . . ?
C2 C7 C8 112.4(3) . . ?
C2 C7 C9 111.0(3) . . ?
C8 C7 H7 107.8 . . ?
C8 C7 C9 109.8(3) . . ?
C9 C7 H7 107.8 . . ?
C7 C8 H8A 109.5 . . ?
C7 C8 H8B 109.5 . . ?
C7 C8 H8C 109.5 . . ?
H8A C8 H8B 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
C7 C9 H9A 109.5 . . ?
C7 C9 H9B 109.5 . . ?
C7 C9 H9C 109.5 . . ?
H9A C9 H9B 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
C6 C10 H10 108.2 . . ?
C6 C10 C11 111.4(3) . . ?
C6 C10 C12 111.3(3) . . ?
C11 C10 H10 108.2 . . ?
C11 C10 C12 109.4(3) . . ?
C12 C10 H10 108.2 . . ?
C10 C11 H11A 109.5 . . ?
C10 C11 H11B 109.5 . . ?
C10 C11 H11C 109.5 . . ?
H11A C11 H11B 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
C10 C12 H12A 109.5 . . ?
C10 C12 H12B 109.5 . . ?
C10 C12 H12C 109.5 . . ?
H12A C12 H12B 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
Si1 C13 H13A 109.5 . . ?
Si1 C13 H13B 109.5 . . ?
Si1 C13 H13C 109.5 . . ?
H13A C13 H13B 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
Si1 C14 H14A 109.5 . . ?
Si1 C14 H14B 109.5 . . ?
Si1 C14 H14C 109.5 . . ?
H14A C14 H14B 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
N2 C15 Cs2 112.58(18) . . ?
C16 C15 Cs2 77.55(19) . . ?
C16 C15 N2 121.3(3) . . ?
C20 C15 Cs2 77.43(19) . . ?
C20 C15 N2 120.3(3) . . ?
C20 C15 C16 118.4(3) . . ?
C15 C16 Cs2 79.55(18) . . ?
C15 C16 C21 121.9(3) . . ?
C17 C16 Cs2 77.3(2) . . ?
C17 C16 C15 119.6(3) . . ?
C17 C16 C21 118.4(3) . . ?
C21 C16 Cs2 112.6(2) . . ?
Cs2 C17 H17 112.1 . . ?
C16 C17 Cs2 80.1(2) . . ?
C16 C17 H17 119.0 . . ?
C18 C17 Cs2 78.8(2) . . ?
C18 C17 C16 121.9(3) . . ?
C18 C17 H17 119.0 . . ?
Cs2 C18 H18 112.8 . . ?
C17 C18 Cs2 78.5(2) . . ?
C17 C18 H18 120.7 . . ?
C17 C18 C19 118.6(3) . . ?
C19 C18 Cs2 78.7(2) . . ?
C19 C18 H18 120.7 . . ?
Cs2 C19 H19 112.6 . . ?
C18 C19 Cs2 78.6(2) . . ?
C18 C19 H19 119.3 . . ?
C20 C19 Cs2 79.8(2) . . ?
C20 C19 C18 121.4(3) . . ?
C20 C19 H19 119.3 . . ?
C15 C20 Cs2 79.69(19) . . ?
C15 C20 C24 121.6(3) . . ?
C19 C20 Cs2 77.7(2) . . ?
C19 C20 C15 120.1(3) . . ?
C19 C20 C24 118.1(3) . . ?
C24 C20 Cs2 108.7(2) . . ?
C16 C21 H21 107.7 . . ?
C16 C21 C22 111.4(3) . . ?
C16 C21 C23 110.8(3) . . ?
C22 C21 H21 107.7 . . ?
C22 C21 C23 111.2(3) . . ?
C23 C21 H21 107.7 . . ?
C21 C22 H22A 109.5 . . ?
C21 C22 H22B 109.5 . . ?
C21 C22 H22C 109.5 . . ?
H22A C22 H22B 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
C21 C23 H23A 109.5 . . ?
C21 C23 H23B 109.5 . . ?
C21 C23 H23C 109.5 . . ?
H23A C23 H23B 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
C20 C24 H24 107.8 . . ?
C20 C24 C25 109.7(3) . . ?
C25 C24 H24 107.8 . . ?
C26 C24 C20 113.5(3) . . ?
C26 C24 H24 107.8 . . ?
C26 C24 C25 109.9(3) . . ?
C24 C25 H25A 109.5 . . ?
C24 C25 H25B 109.5 . . ?
C24 C25 H25C 109.5 . . ?
H25A C25 H25B 109.5 . . ?
H25A C25 H25C 109.5 . . ?
H25B C25 H25C 109.5 . . ?
C24 C26 H26A 109.5 . . ?
C24 C26 H26B 109.5 . . ?
C24 C26 H26C 109.5 . . ?
H26A C26 H26B 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?
Si2 C27 H27A 109.5 . . ?
Si2 C27 H27B 109.5 . . ?
Si2 C27 H27C 109.5 . . ?
H27A C27 H27B 109.5 . . ?
H27A C27 H27C 109.5 . . ?
H27B C27 H27C 109.5 . . ?
Si2 C28 H28A 109.5 . . ?
Si2 C28 H28B 109.5 . . ?
Si2 C28 H28C 109.5 . . ?
H28A C28 H28B 109.5 . . ?
H28A C28 H28C 109.5 . . ?
H28B C28 H28C 109.5 . . ?
N3 C29 Cs1 112.91(18) . . ?
C30 C29 Cs1 77.43(18) . . ?
C30 C29 N3 121.5(3) . . ?
C30 C29 C34 119.0(3) . . ?
C34 C29 Cs1 77.36(18) . . ?
C34 C29 N3 119.5(3) . . ?
C29 C30 Cs1 79.86(18) . . ?
C29 C30 C35 122.6(3) . . ?
C31 C30 Cs1 77.18(19) . . ?
C31 C30 C29 119.3(3) . . ?
C31 C30 C35 118.1(3) . . ?
C35 C30 Cs1 111.5(2) . . ?
Cs1 C31 H31 111.6 . . ?
C30 C31 Cs1 79.92(19) . . ?
C30 C31 H31 119.1 . . ?
C32 C31 Cs1 79.4(2) . . ?
C32 C31 C30 121.9(3) . . ?
C32 C31 H31 119.1 . . ?
Cs1 C32 H32 113.9 . . ?
C31 C32 Cs1 78.1(2) . . ?
C31 C32 H32 120.4 . . ?
C31 C32 C33 119.1(3) . . ?
C33 C32 Cs1 78.2(2) . . ?
C33 C32 H32 120.4 . . ?
Cs1 C33 H33 111.9 . . ?
C32 C33 Cs1 79.1(2) . . ?
C32 C33 H33 119.4 . . ?
C32 C33 C34 121.1(3) . . ?
C34 C33 Cs1 79.8(2) . . ?
C34 C33 H33 119.4 . . ?
C29 C34 Cs1 79.67(18) . . ?
C29 C34 C38 121.5(3) . . ?
C33 C34 Cs1 77.4(2) . . ?
C33 C34 C29 119.5(3) . . ?
C33 C34 C38 118.7(3) . . ?
C38 C34 Cs1 107.9(2) . . ?
C30 C35 H35 107.8 . . ?
C30 C35 C36 112.3(3) . . ?
C30 C35 C37 110.9(3) . . ?
C36 C35 H35 107.8 . . ?
C36 C35 C37 110.1(3) . . ?
C37 C35 H35 107.8 . . ?
C35 C36 H36A 109.5 . . ?
C35 C36 H36B 109.5 . . ?
C35 C36 H36C 109.5 . . ?
H36A C36 H36B 109.5 . . ?
H36A C36 H36C 109.5 . . ?
H36B C36 H36C 109.5 . . ?
C35 C37 H37A 109.5 . . ?
C35 C37 H37B 109.5 . . ?
C35 C37 H37C 109.5 . . ?
H37A C37 H37B 109.5 . . ?
H37A C37 H37C 109.5 . . ?
H37B C37 H37C 109.5 . . ?
C34 C38 H38 108.3 . . ?
C34 C38 C39 113.1(3) . . ?
C34 C38 C40 109.1(3) . . ?
C39 C38 H38 108.3 . . ?
C39 C38 C40 109.6(3) . . ?
C40 C38 H38 108.3 . . ?
C38 C39 H39A 109.5 . . ?
C38 C39 H39B 109.5 . . ?
C38 C39 H39C 109.5 . . ?
H39A C39 H39B 109.5 . . ?
H39A C39 H39C 109.5 . . ?
H39B C39 H39C 109.5 . . ?
C38 C40 H40A 109.5 . . ?
C38 C40 H40B 109.5 . . ?
C38 C40 H40C 109.5 . . ?
H40A C40 H40B 109.5 . . ?
H40A C40 H40C 109.5 . . ?
H40B C40 H40C 109.5 . . ?
Si3 C41 H41A 109.5 . . ?
Si3 C41 H41B 109.5 . . ?
Si3 C41 H41C 109.5 . . ?
H41A C41 H41B 109.5 . . ?
H41A C41 H41C 109.5 . . ?
H41B C41 H41C 109.5 . . ?
Si3 C42 H42A 109.5 . . ?
Si3 C42 H42B 109.5 . . ?
Si3 C42 H42C 109.5 . . ?
H42A C42 H42B 109.5 . . ?
H42A C42 H42C 109.5 . . ?
H42B C42 H42C 109.5 . . ?
N4 C43 Cs2 112.55(18) . . ?
N4 C43 C44 121.7(3) . . ?
N4 C43 C48 119.8(3) . . ?
C44 C43 Cs2 77.50(17) . . ?
C44 C43 C48 118.4(3) . . ?
C48 C43 Cs2 78.27(18) . . ?
C43 C44 Cs2 79.40(17) . . ?
C43 C44 C49 122.2(3) . . ?
C45 C44 Cs2 77.60(19) . . ?
C45 C44 C43 119.4(3) . . ?
C45 C44 C49 118.3(3) . . ?
C49 C44 Cs2 112.06(19) . . ?
Cs2 C45 H45 111.6 . . ?
C44 C45 Cs2 79.55(18) . . ?
C44 C45 H45 119.0 . . ?
C46 C45 Cs2 79.9(2) . . ?
C46 C45 C44 122.0(3) . . ?
C46 C45 H45 119.0 . . ?
Cs2 C46 H46 114.1 . . ?
C45 C46 Cs2 77.4(2) . . ?
C45 C46 H46 120.7 . . ?
C45 C46 C47 118.7(3) . . ?
C47 C46 Cs2 78.6(2) . . ?
C47 C46 H46 120.7 . . ?
Cs2 C47 H47 113.0 . . ?
C46 C47 Cs2 78.8(2) . . ?
C46 C47 H47 119.3 . . ?
C46 C47 C48 121.4(3) . . ?
C48 C47 Cs2 79.2(2) . . ?
C48 C47 H47 119.3 . . ?
C43 C48 Cs2 78.65(18) . . ?
C43 C48 C54 121.2(3) . . ?
C47 C48 Cs2 78.1(2) . . ?
C47 C48 C43 120.0(3) . . ?
C47 C48 C54 118.8(3) . . ?
C54 C48 Cs2 112.5(2) . . ?
C44 C49 H49 108.0 . . ?
C44 C49 C50 111.4(3) . . ?
C50 C49 H49 108.0 . . ?
C51 C49 C44 111.7(3) . . ?
C51 C49 H49 108.0 . . ?
C51 C49 C50 109.5(3) . . ?
C49 C50 H50A 109.5 . . ?
C49 C50 H50B 109.5 . . ?
C49 C50 H50C 109.5 . . ?
H50A C50 H50B 109.5 . . ?
H50A C50 H50C 109.5 . . ?
H50B C50 H50C 109.5 . . ?
C49 C51 H51A 109.5 . . ?
C49 C51 H51B 109.5 . . ?
C49 C51 H51C 109.5 . . ?
H51A C51 H51B 109.5 . . ?
H51A C51 H51C 109.5 . . ?
H51B C51 H51C 109.5 . . ?
C48 C54 H54 107.7 . . ?
C48 C54 C56 111.1(3) . . ?
C48 C54 C57 112.5(3) . . ?
C56 C54 H54 107.7 . . ?
C56 C54 C57 110.0(3) . . ?
C57 C54 H54 107.7 . . ?
C54 C56 H56A 109.5 . . ?
C54 C56 H56B 109.5 . . ?
C54 C56 H56C 109.5 . . ?
H56A C56 H56B 109.5 . . ?
H56A C56 H56C 109.5 . . ?
H56B C56 H56C 109.5 . . ?
C54 C57 H57A 109.5 . . ?
C54 C57 H57B 109.5 . . ?
C54 C57 H57C 109.5 . . ?
H57A C57 H57B 109.5 . . ?
H57A C57 H57C 109.5 . . ?
H57B C57 H57C 109.5 . . ?
Si4 C58 H58A 109.5 . . ?
Si4 C58 H58B 109.5 . . ?
Si4 C58 H58C 109.5 . . ?
H58A C58 H58B 109.5 . . ?
H58A C58 H58C 109.5 . . ?
H58B C58 H58C 109.5 . . ?
Si4 C59 H59A 109.5 . . ?
Si4 C59 H59B 109.5 . . ?
Si4 C59 H59C 109.5 . . ?
H59A C59 H59B 109.5 . . ?
H59A C59 H59C 109.5 . . ?
H59B C59 H59C 109.5 . . ?
C60 C60 H60A 108.6 7_566 . ?
C60 C60 H60B 108.6 7_566 . ?
H60A C60 H60B 107.6 . . ?
C61 C60 C60 114.6(5) . 7_566 ?
C61 C60 H60A 108.6 . . ?
C61 C60 H60B 108.6 . . ?
C60 C61 H61A 108.8 . . ?
C60 C61 H61B 108.8 . . ?
C60 C61 C62 113.9(4) . . ?
H61A C61 H61B 107.7 . . ?
C62 C61 H61A 108.8 . . ?
C62 C61 H61B 108.8 . . ?
C61 C62 H62A 109.5 . . ?
C61 C62 H62B 109.5 . . ?
C61 C62 H62C 109.5 . . ?
H62A C62 H62B 109.5 . . ?
H62A C62 H62C 109.5 . . ?
H62B C62 H62C 109.5 . . ?

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
Al1 N1 C1 Cs1 -0.5(2) . . . . ?
Al1 N1 C1 C2 -90.2(3) . . . . ?
Al1 N1 C1 C6 88.6(3) . . . . ?
Al1 N2 C15 Cs2 -4.3(2) . . . . ?
Al1 N2 C15 C16 84.5(3) . . . . ?
Al1 N2 C15 C20 -92.6(3) . . . . ?
Al2 N3 C29 Cs1 -7.4(2) . . . . ?
Al2 N3 C29 C30 81.6(3) . . . . ?
Al2 N3 C29 C34 -95.4(3) . . . . ?
Al2 N4 C43 Cs2 -1.7(2) . . . . ?
Al2 N4 C43 C44 87.2(3) . . . . ?
Al2 N4 C43 C48 -90.8(3) . . . . ?
Cs1 Al1 N1 Si1 -179.64(17) . . . . ?
Cs1 Al1 N1 C1 0.4(2) . . . . ?
Cs1 Al2 N4 Si4 127.2(3) . . . . ?
Cs1 Al2 N4 C43 -55.1(4) . . . . ?
Cs1 C1 C2 C3 69.1(3) . . . . ?
Cs1 C1 C2 C7 -109.7(3) . . . . ?
Cs1 C1 C6 C5 -69.4(3) . . . . ?
Cs1 C1 C6 C10 109.6(3) . . . . ?
Cs1 C2 C3 C4 68.5(3) . . . . ?
Cs1 C2 C7 C8 132.6(3) . . . . ?
Cs1 C2 C7 C9 9.2(4) . . . . ?
Cs1 C3 C4 C5 69.1(3) . . . . ?
Cs1 C4 C5 C6 70.4(3) . . . . ?
Cs1 C5 C6 C1 70.2(3) . . . . ?
Cs1 C5 C6 C10 -108.8(3) . . . . ?
Cs1 C6 C10 C11 -20.6(3) . . . . ?
Cs1 C6 C10 C12 -143.1(2) . . . . ?
Cs1 C29 C30 C31 -69.0(3) . . . . ?
Cs1 C29 C30 C35 109.1(3) . . . . ?
Cs1 C29 C34 C33 69.0(3) . . . . ?
Cs1 C29 C34 C38 -104.8(3) . . . . ?
Cs1 C30 C31 C32 -70.7(3) . . . . ?
Cs1 C30 C35 C36 -141.4(2) . . . . ?
Cs1 C30 C35 C37 -17.8(3) . . . . ?
Cs1 C31 C32 C33 -69.1(3) . . . . ?
Cs1 C32 C33 C34 -70.9(3) . . . . ?
Cs1 C33 C34 C29 -70.3(3) . . . . ?
Cs1 C33 C34 C38 103.7(3) . . . . ?
Cs1 C34 C38 C39 132.8(3) . . . . ?
Cs1 C34 C38 C40 10.5(3) . . . . ?
Cs2 Al1 N1 Si1 117.6(3) . . . . ?
Cs2 Al1 N1 C1 -62.4(4) . . . . ?
Cs2 Al2 N4 Si4 -176.19(16) . . . . ?
Cs2 Al2 N4 C43 1.5(2) . . . . ?
Cs2 C15 C16 C17 -68.7(3) . . . . ?
Cs2 C15 C16 C21 110.2(3) . . . . ?
Cs2 C15 C20 C19 69.1(3) . . . . ?
Cs2 C15 C20 C24 -105.7(3) . . . . ?
Cs2 C16 C17 C18 -70.1(4) . . . . ?
Cs2 C16 C21 C22 -145.6(3) . . . . ?
Cs2 C16 C21 C23 -21.2(4) . . . . ?
Cs2 C17 C18 C19 -70.2(3) . . . . ?
Cs2 C18 C19 C20 -70.4(3) . . . . ?
Cs2 C19 C20 C15 -70.2(3) . . . . ?
Cs2 C19 C20 C24 104.8(3) . . . . ?
Cs2 C20 C24 C25 10.4(3) . . . . ?
Cs2 C20 C24 C26 133.8(3) . . . . ?
Cs2 C43 C44 C45 -69.1(3) . . . . ?
Cs2 C43 C44 C49 109.5(3) . . . . ?
Cs2 C43 C48 C47 69.0(3) . . . . ?
Cs2 C43 C48 C54 -109.6(3) . . . . ?
Cs2 C44 C45 C46 -71.0(3) . . . . ?
Cs2 C44 C49 C50 -22.2(3) . . . . ?
Cs2 C44 C49 C51 -145.0(3) . . . . ?
Cs2 C45 C46 C47 -69.3(3) . . . . ?
Cs2 C46 C47 C48 -69.8(3) . . . . ?
Cs2 C47 C48 C43 -69.3(3) . . . . ?
Cs2 C47 C48 C54 109.3(3) . . . . ?
Cs2 C48 C54 C56 9.9(4) . . . . ?
Cs2 C48 C54 C57 133.7(3) . . . . ?
Si1 N1 C1 Cs1 179.56(12) . . . . ?
Si1 N1 C1 C2 89.9(3) . . . . ?
Si1 N1 C1 C6 -91.3(3) . . . . ?
Si2 N2 C15 Cs2 178.90(13) . . . . ?
Si2 N2 C15 C16 -92.3(3) . . . . ?
Si2 N2 C15 C20 90.6(3) . . . . ?
Si3 N3 C29 Cs1 179.36(12) . . . . ?
Si3 N3 C29 C30 -91.7(3) . . . . ?
Si3 N3 C29 C34 91.3(3) . . . . ?
Si4 N4 C43 Cs2 176.04(12) . . . . ?
Si4 N4 C43 C44 -95.0(3) . . . . ?
Si4 N4 C43 C48 86.9(3) . . . . ?
O1 Si1 N1 Al1 30.2(2) . . . . ?
O1 Si1 N1 C1 -149.9(2) . . . . ?
O1 Si2 N2 Al1 28.4(2) . . . . ?
O1 Si2 N2 C15 -155.2(2) . . . . ?
O2 Si3 N3 Al2 20.4(2) . . . . ?
O2 Si3 N3 C29 -167.6(2) . . . . ?
O2 Si4 N4 Al2 35.0(2) . . . . ?
O2 Si4 N4 C43 -142.5(2) . . . . ?
N1 Si1 O1 Si2 -7.3(4) . . . . ?
N1 C1 C2 Cs1 109.7(3) . . . . ?
N1 C1 C2 C3 178.8(3) . . . . ?
N1 C1 C2 C7 -0.1(5) . . . . ?
N1 C1 C6 Cs1 -108.9(3) . . . . ?
N1 C1 C6 C5 -178.3(3) . . . . ?
N1 C1 C6 C10 0.7(5) . . . . ?
N2 Al1 N1 Si1 -21.3(2) . . . . ?
N2 Al1 N1 C1 158.7(2) . . . . ?
N2 Si2 O1 Si1 -19.8(4) . . . . ?
N2 C15 C16 Cs2 -109.0(3) . . . . ?
N2 C15 C16 C17 -177.8(3) . . . . ?
N2 C15 C16 C21 1.2(5) . . . . ?
N2 C15 C20 Cs2 109.0(3) . . . . ?
N2 C15 C20 C19 178.1(3) . . . . ?
N2 C15 C20 C24 3.3(5) . . . . ?
N3 Al2 N4 Si4 -21.0(2) . . . . ?
N3 Al2 N4 C43 156.6(2) . . . . ?
N3 Si3 O2 Si4 -1.6(4) . . . . ?
N3 C29 C30 Cs1 -109.3(3) . . . . ?
N3 C29 C30 C31 -178.3(3) . . . . ?
N3 C29 C30 C35 -0.3(5) . . . . ?
N3 C29 C34 Cs1 109.4(3) . . . . ?
N3 C29 C34 C33 178.4(3) . . . . ?
N3 C29 C34 C38 4.6(5) . . . . ?
N4 Si4 O2 Si3 -23.9(4) . . . . ?
N4 C43 C44 Cs2 -108.9(3) . . . . ?
N4 C43 C44 C45 -178.1(3) . . . . ?
N4 C43 C44 C49 0.5(4) . . . . ?
N4 C43 C48 Cs2 109.4(3) . . . . ?
N4 C43 C48 C47 178.4(3) . . . . ?
N4 C43 C48 C54 -0.1(5) . . . . ?
C1 C2 C3 Cs1 -68.8(3) . . . . ?
C1 C2 C3 C4 -0.3(5) . . . . ?
C1 C2 C7 C8 -137.9(3) . . . . ?
C1 C2 C7 C9 98.7(4) . . . . ?
C1 C6 C10 C11 -112.0(3) . . . . ?
C1 C6 C10 C12 125.6(3) . . . . ?
C2 C1 C6 Cs1 69.9(3) . . . . ?
C2 C1 C6 C5 0.5(4) . . . . ?
C2 C1 C6 C10 179.4(3) . . . . ?
C2 C3 C4 Cs1 -68.9(3) . . . . ?
C2 C3 C4 C5 0.2(6) . . . . ?
C3 C2 C7 C8 43.3(5) . . . . ?
C3 C2 C7 C9 -80.2(4) . . . . ?
C3 C4 C5 Cs1 -70.1(3) . . . . ?
C3 C4 C5 C6 0.3(6) . . . . ?
C4 C5 C6 Cs1 -70.9(3) . . . . ?
C4 C5 C6 C1 -0.7(5) . . . . ?
C4 C5 C6 C10 -179.6(3) . . . . ?
C5 C6 C10 C11 67.0(4) . . . . ?
C5 C6 C10 C12 -55.4(4) . . . . ?
C6 C1 C2 Cs1 -69.1(3) . . . . ?
C6 C1 C2 C3 0.0(5) . . . . ?
C6 C1 C2 C7 -178.9(3) . . . . ?
C7 C2 C3 Cs1 110.1(3) . . . . ?
C7 C2 C3 C4 178.5(3) . . . . ?
C13 Si1 O1 Si2 -127.9(3) . . . . ?
C13 Si1 N1 Al1 147.52(19) . . . . ?
C13 Si1 N1 C1 -32.6(3) . . . . ?
C14 Si1 O1 Si2 115.5(3) . . . . ?
C14 Si1 N1 Al1 -87.2(3) . . . . ?
C14 Si1 N1 C1 92.7(3) . . . . ?
C15 C16 C17 Cs2 70.0(3) . . . . ?
C15 C16 C17 C18 -0.2(6) . . . . ?
C15 C16 C21 C22 122.8(4) . . . . ?
C15 C16 C21 C23 -112.7(4) . . . . ?
C15 C20 C24 C25 99.6(4) . . . . ?
C15 C20 C24 C26 -137.0(4) . . . . ?
C16 C15 C20 Cs2 -68.2(3) . . . . ?
C16 C15 C20 C19 0.9(5) . . . . ?
C16 C15 C20 C24 -173.9(3) . . . . ?
C16 C17 C18 Cs2 70.8(3) . . . . ?
C16 C17 C18 C19 0.7(6) . . . . ?
C17 C16 C21 C22 -58.2(4) . . . . ?
C17 C16 C21 C23 66.2(4) . . . . ?
C17 C18 C19 Cs2 70.1(3) . . . . ?
C17 C18 C19 C20 -0.3(6) . . . . ?
C18 C19 C20 Cs2 69.8(4) . . . . ?
C18 C19 C20 C15 -0.5(6) . . . . ?
C18 C19 C20 C24 174.5(4) . . . . ?
C19 C20 C24 C25 -75.3(4) . . . . ?
C19 C20 C24 C26 48.1(5) . . . . ?
C20 C15 C16 Cs2 68.1(3) . . . . ?
C20 C15 C16 C17 -0.6(5) . . . . ?
C20 C15 C16 C21 178.3(3) . . . . ?
C21 C16 C17 Cs2 -109.0(3) . . . . ?
C21 C16 C17 C18 -179.1(3) . . . . ?
C27 Si2 O1 Si1 101.8(3) . . . . ?
C27 Si2 N2 Al1 -88.5(2) . . . . ?
C27 Si2 N2 C15 87.9(3) . . . . ?
C28 Si2 O1 Si1 -142.5(3) . . . . ?
C28 Si2 N2 Al1 147.6(2) . . . . ?
C28 Si2 N2 C15 -36.0(3) . . . . ?
C29 C30 C31 Cs1 70.4(3) . . . . ?
C29 C30 C31 C32 -0.3(5) . . . . ?
C29 C30 C35 C36 127.0(3) . . . . ?
C29 C30 C35 C37 -109.3(4) . . . . ?
C29 C34 C38 C39 -138.5(3) . . . . ?
C29 C34 C38 C40 99.2(4) . . . . ?
C30 C29 C34 Cs1 -67.7(3) . . . . ?
C30 C29 C34 C33 1.3(5) . . . . ?
C30 C29 C34 C38 -172.5(3) . . . . ?
C30 C31 C32 Cs1 71.0(3) . . . . ?
C30 C31 C32 C33 1.9(6) . . . . ?
C31 C30 C35 C36 -54.9(4) . . . . ?
C31 C30 C35 C37 68.8(4) . . . . ?
C31 C32 C33 Cs1 69.0(3) . . . . ?
C31 C32 C33 C34 -1.9(5) . . . . ?
C32 C33 C34 Cs1 70.5(3) . . . . ?
C32 C33 C34 C29 0.3(5) . . . . ?
C32 C33 C34 C38 174.2(3) . . . . ?
C33 C34 C38 C39 47.7(5) . . . . ?
C33 C34 C38 C40 -74.6(4) . . . . ?
C34 C29 C30 Cs1 67.7(3) . . . . ?
C34 C29 C30 C31 -1.3(5) . . . . ?
C34 C29 C30 C35 176.7(3) . . . . ?
C35 C30 C31 Cs1 -107.7(3) . . . . ?
C35 C30 C31 C32 -178.4(3) . . . . ?
C41 Si3 O2 Si4 -124.9(3) . . . . ?
C41 Si3 N3 Al2 140.1(2) . . . . ?
C41 Si3 N3 C29 -47.9(3) . . . . ?
C42 Si3 O2 Si4 120.7(3) . . . . ?
C42 Si3 N3 Al2 -96.5(3) . . . . ?
C42 Si3 N3 C29 75.5(3) . . . . ?
C43 C44 C45 Cs2 70.1(3) . . . . ?
C43 C44 C45 C46 -0.9(5) . . . . ?
C43 C44 C49 C50 -113.4(3) . . . . ?
C43 C44 C49 C51 123.8(3) . . . . ?
C43 C48 C54 C56 100.0(4) . . . . ?
C43 C48 C54 C57 -136.2(3) . . . . ?
C44 C43 C48 Cs2 -68.7(2) . . . . ?
C44 C43 C48 C47 0.3(5) . . . . ?
C44 C43 C48 C54 -178.2(3) . . . . ?
C44 C45 C46 Cs2 70.8(3) . . . . ?
C44 C45 C46 C47 1.6(6) . . . . ?
C45 C44 C49 C50 65.2(4) . . . . ?
C45 C44 C49 C51 -57.5(4) . . . . ?
C45 C46 C47 Cs2 68.6(3) . . . . ?
C45 C46 C47 C48 -1.2(6) . . . . ?
C46 C47 C48 Cs2 69.6(3) . . . . ?
C46 C47 C48 C43 0.3(5) . . . . ?
C46 C47 C48 C54 178.9(3) . . . . ?
C47 C48 C54 C56 -78.5(4) . . . . ?
C47 C48 C54 C57 45.3(4) . . . . ?
C48 C43 C44 Cs2 69.1(3) . . . . ?
C48 C43 C44 C45 0.0(4) . . . . ?
C48 C43 C44 C49 178.6(3) . . . . ?
C49 C44 C45 Cs2 -108.6(3) . . . . ?
C49 C44 C45 C46 -179.6(3) . . . . ?
C58 Si4 O2 Si3 -145.2(3) . . . . ?
C58 Si4 N4 Al2 152.67(18) . . . . ?
C58 Si4 N4 C43 -24.9(3) . . . . ?
C59 Si4 O2 Si3 97.5(3) . . . . ?
C59 Si4 N4 Al2 -81.8(3) . . . . ?
C59 Si4 N4 C43 100.7(3) . . . . ?
C60 C60 C61 C62 177.9(5) 7_566 . . . ?

_olex2_submission_special_instructions 'No special instructions were received'

#===END





_chemical_properties_physical    
Air-sensitive,Moisture-sensitive,Oxygen-sensitive
