# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2015

####################################################################### 
# 
# 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_g140120b
_database_code_depnum_ccdc_archive 'CCDC 1430243'
_audit_update_record             
;
2015-10-08 deposited with the CCDC.
2015-12-02 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C27 H62 Lu N3 O Si5'
_chemical_formula_sum            'C27 H62 Lu N3 O Si5'
_chemical_formula_weight         760.22

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Lu Lu -0.4720 5.8584 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Si Si 0.0817 0.0704 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   'P 21/c'
_symmetry_space_group_name_Hall  '-P 2ybc'

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'

_cell_length_a                   10.90040(17)
_cell_length_b                   17.2340(2)
_cell_length_c                   21.1886(3)
_cell_angle_alpha                90.00
_cell_angle_beta                 102.4275(15)
_cell_angle_gamma                90.00
_cell_volume                     3887.19(10)
_cell_formula_units_Z            4
_cell_measurement_temperature    223(2)
_cell_measurement_reflns_used    12321
_cell_measurement_theta_min      3.0390
_cell_measurement_theta_max      30.1940

_exptl_crystal_description       block
_exptl_crystal_colour            colorless
_exptl_crystal_size_max          0.60
_exptl_crystal_size_mid          0.60
_exptl_crystal_size_min          0.30
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.299
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1576
_exptl_absorpt_coefficient_mu    2.716
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.56746
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_process_details   
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.32 (release 02-08-2013 CrysAlis171 .NET)
(compiled Aug  2 2013,16:46:58)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      223(2)
_diffrn_radiation_wavelength     0.71070
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'Enhance (Mo) X-ray Source'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Xcalibur, Atlas, Gemini'
_diffrn_measurement_method       'ω scans'
_diffrn_detector_area_resol_mean 10.4471
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            23925
_diffrn_reflns_av_R_equivalents  0.0219
_diffrn_reflns_av_sigmaI/netI    0.0226
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_theta_min         3.03
_diffrn_reflns_theta_max         25.50
_reflns_number_total             7239
_reflns_number_gt                6375
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'CrysAlisPro, Agilent Technologies'
_computing_cell_refinement       'CrysAlisPro, Agilent Technologies'
_computing_data_reduction        'CrysAlisPro, Agilent Technologies'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    ?
_computing_publication_material  ?

_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0263P)²+4.0245P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         7239
_refine_ls_number_parameters     350
_refine_ls_number_restraints     10
_refine_ls_R_factor_all          0.0311
_refine_ls_R_factor_gt           0.0250
_refine_ls_wR_factor_ref         0.0598
_refine_ls_wR_factor_gt          0.0577
_refine_ls_goodness_of_fit_ref   1.047
_refine_ls_restrained_S_all      1.170
_refine_ls_shift/su_max          0.004
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Lu1 Lu 0.240692(12) 0.724675(8) 0.116349(6) 0.02800(6) Uani 1 1 d . A .
Si1 Si 0.23723(11) 0.89637(6) 0.20141(5) 0.0452(3) Uani 1 1 d D . .
Si2 Si -0.07101(11) 0.78773(8) 0.04216(7) 0.0564(3) Uani 1 1 d D . .
H2 H -0.097(5) 0.772(3) 0.102(3) 0.083(16) Uiso 1 1 d . . .
Si3 Si 0.15356(11) 0.78425(7) -0.01949(5) 0.0459(3) Uani 1 1 d . . .
H3 H 0.279(3) 0.756(2) 0.0101(18) 0.042(10) Uiso 1 1 d . . .
Si4 Si 0.13600(12) 0.55871(6) 0.10953(5) 0.0507(3) Uani 1 1 d D . .
H4 H 0.154(3) 0.597(2) 0.0531(17) 0.043(10) Uiso 1 1 d . . .
Si5 Si 0.12121(9) 0.62385(6) 0.23833(5) 0.0379(2) Uani 1 1 d . . .
H5 H 0.180(3) 0.684(2) 0.2796(17) 0.042(10) Uiso 1 1 d . . .
O1 O 0.4119(2) 0.65722(14) 0.09560(11) 0.0398(6) Uani 1 1 d . . .
N1 N 0.3209(2) 0.81913(16) 0.18079(13) 0.0324(6) Uani 1 1 d . A .
N2 N 0.0846(3) 0.77323(16) 0.04402(14) 0.0374(7) Uani 1 1 d . A .
N3 N 0.1627(3) 0.63089(16) 0.16509(14) 0.0355(7) Uani 1 1 d . A .
C1 C 0.4547(3) 0.81900(19) 0.19979(16) 0.0328(7) Uani 1 1 d . . .
C2 C 0.5164(3) 0.7883(2) 0.26047(18) 0.0368(8) Uani 1 1 d . A .
C3 C 0.6467(4) 0.7860(2) 0.2764(2) 0.0491(10) Uani 1 1 d . . .
H3A H 0.6869 0.7652 0.3166 0.059 Uiso 1 1 calc R A .
C4 C 0.7186(4) 0.8133(3) 0.2352(2) 0.0546(11) Uani 1 1 d . A .
H4A H 0.8067 0.8108 0.2469 0.065 Uiso 1 1 calc R . .
C5 C 0.6603(4) 0.8442(2) 0.1770(2) 0.0507(10) Uani 1 1 d . . .
H5A H 0.7095 0.8631 0.1490 0.061 Uiso 1 1 calc R A .
C6 C 0.5294(3) 0.8482(2) 0.15809(18) 0.0387(8) Uani 1 1 d . A .
C7 C 0.4445(4) 0.7547(3) 0.30786(18) 0.0457(9) Uani 1 1 d . . .
H7 H 0.3542 0.7651 0.2907 0.055 Uiso 1 1 calc R A .
C8 C 0.4811(6) 0.7925(4) 0.3749(2) 0.0827(17) Uani 1 1 d . A .
H8A H 0.5678 0.7800 0.3943 0.124 Uiso 1 1 calc R . .
H8B H 0.4269 0.7730 0.4021 0.124 Uiso 1 1 calc R . .
H8C H 0.4717 0.8483 0.3706 0.124 Uiso 1 1 calc R . .
C9 C 0.4613(4) 0.6669(3) 0.3142(2) 0.0642(12) Uani 1 1 d . A .
H9A H 0.4260 0.6425 0.2730 0.096 Uiso 1 1 calc R . .
H9B H 0.4186 0.6477 0.3467 0.096 Uiso 1 1 calc R . .
H9C H 0.5501 0.6547 0.3268 0.096 Uiso 1 1 calc R . .
C10 C 0.4726(4) 0.8859(2) 0.09386(19) 0.0470(9) Uani 1 1 d . . .
H10 H 0.3806 0.8780 0.0858 0.056 Uiso 1 1 calc R A .
C11 C 0.5187(5) 0.8498(3) 0.0373(2) 0.0671(13) Uani 1 1 d . A .
H11A H 0.6077 0.8600 0.0421 0.101 Uiso 1 1 calc R . .
H11B H 0.4731 0.8723 -0.0029 0.101 Uiso 1 1 calc R . .
H11C H 0.5044 0.7942 0.0367 0.101 Uiso 1 1 calc R . .
C12 C 0.4964(5) 0.9735(3) 0.0965(3) 0.0751(15) Uani 1 1 d . A .
H12A H 0.4763 0.9946 0.1354 0.113 Uiso 1 1 calc R . .
H12B H 0.4440 0.9979 0.0589 0.113 Uiso 1 1 calc R . .
H12C H 0.5841 0.9834 0.0967 0.113 Uiso 1 1 calc R . .
C13A C 0.3471(9) 0.9666(6) 0.2549(5) 0.0619(18) Uiso 0.50 1 d PD A 1
H13A H 0.3890 0.9987 0.2284 0.093 Uiso 0.50 1 calc PR A 1
H13B H 0.4093 0.9377 0.2856 0.093 Uiso 0.50 1 calc PR A 1
H13C H 0.2992 0.9992 0.2781 0.093 Uiso 0.50 1 calc PR A 1
C13B C 0.3195(9) 0.9457(6) 0.2767(4) 0.0619(18) Uiso 0.50 1 d PD A 2
H13D H 0.2929 0.9231 0.3135 0.093 Uiso 0.50 1 calc PR A 2
H13E H 0.2990 1.0005 0.2740 0.093 Uiso 0.50 1 calc PR A 2
H13F H 0.4095 0.9392 0.2818 0.093 Uiso 0.50 1 calc PR A 2
C14 C 0.1772(6) 0.9647(3) 0.1336(3) 0.0819(17) Uani 1 1 d . A .
H14A H 0.2463 0.9954 0.1249 0.123 Uiso 1 1 calc R . .
H14B H 0.1149 0.9988 0.1453 0.123 Uiso 1 1 calc R . .
H14C H 0.1392 0.9355 0.0952 0.123 Uiso 1 1 calc R . .
C15 C 0.0966(5) 0.8594(3) 0.2281(3) 0.0830(18) Uani 1 1 d . A .
H15A H 0.0457 0.8288 0.1938 0.124 Uiso 1 1 calc R . .
H15B H 0.0477 0.9027 0.2384 0.124 Uiso 1 1 calc R . .
H15C H 0.1230 0.8272 0.2662 0.124 Uiso 1 1 calc R . .
C16A C -0.1810(13) 0.7387(9) -0.0235(7) 0.107(3) Uiso 0.50 1 d PD B 1
H16A H -0.1613 0.6838 -0.0230 0.160 Uiso 0.50 1 calc PR B 1
H16B H -0.1736 0.7609 -0.0646 0.160 Uiso 0.50 1 calc PR B 1
H16C H -0.2661 0.7456 -0.0176 0.160 Uiso 0.50 1 calc PR B 1
C16B C -0.1634(14) 0.7021(8) 0.0012(7) 0.107(3) Uiso 0.50 1 d PD B 2
H16D H -0.1158 0.6548 0.0132 0.160 Uiso 0.50 1 calc PR B 2
H16E H -0.1790 0.7087 -0.0453 0.160 Uiso 0.50 1 calc PR B 2
H16F H -0.2429 0.6987 0.0147 0.160 Uiso 0.50 1 calc PR B 2
C17A C -0.1148(10) 0.8943(6) 0.0391(6) 0.079(2) Uiso 0.50 1 d PD B 1
H17A H -0.0479 0.9237 0.0665 0.118 Uiso 0.50 1 calc PR B 1
H17B H -0.1919 0.9010 0.0543 0.118 Uiso 0.50 1 calc PR B 1
H17C H -0.1268 0.9129 -0.0050 0.118 Uiso 0.50 1 calc PR B 1
C17B C -0.1342(10) 0.8738(6) -0.0048(6) 0.079(2) Uiso 0.50 1 d PD B 2
H17D H -0.1555 0.8607 -0.0503 0.118 Uiso 0.50 1 calc PR B 2
H17E H -0.0716 0.9147 0.0024 0.118 Uiso 0.50 1 calc PR B 2
H17F H -0.2089 0.8914 0.0089 0.118 Uiso 0.50 1 calc PR B 2
C18 C 0.1703(5) 0.8844(3) -0.0487(2) 0.0677(13) Uani 1 1 d . B .
H18A H 0.0884 0.9042 -0.0699 0.102 Uiso 1 1 calc R . .
H18B H 0.2251 0.8839 -0.0793 0.102 Uiso 1 1 calc R . .
H18C H 0.2062 0.9175 -0.0124 0.102 Uiso 1 1 calc R . .
C19 C 0.1001(6) 0.7197(3) -0.0900(2) 0.0882(19) Uani 1 1 d . B .
H19A H 0.0920 0.6671 -0.0751 0.132 Uiso 1 1 calc R . .
H19B H 0.1609 0.7208 -0.1173 0.132 Uiso 1 1 calc R . .
H19C H 0.0193 0.7375 -0.1145 0.132 Uiso 1 1 calc R . .
C20A C 0.2662(10) 0.4832(7) 0.1277(6) 0.068(2) Uiso 0.50 1 d PD B 1
H20D H 0.2294 0.4317 0.1253 0.103 Uiso 0.50 1 calc PR B 1
H20E H 0.3168 0.4918 0.1707 0.103 Uiso 0.50 1 calc PR B 1
H20F H 0.3187 0.4875 0.0962 0.103 Uiso 0.50 1 calc PR B 1
C20B C 0.2305(11) 0.4698(7) 0.1220(6) 0.068(2) Uiso 0.50 1 d PD B 2
H20A H 0.1754 0.4251 0.1172 0.103 Uiso 0.50 1 calc PR B 2
H20B H 0.2835 0.4702 0.1651 0.103 Uiso 0.50 1 calc PR B 2
H20C H 0.2827 0.4673 0.0903 0.103 Uiso 0.50 1 calc PR B 2
C21A C -0.0112(8) 0.5052(6) 0.0924(5) 0.0595(17) Uiso 0.50 1 d PD B 1
H21A H 0.0060 0.4501 0.0970 0.089 Uiso 0.50 1 calc PR B 1
H21B H -0.0560 0.5162 0.0486 0.089 Uiso 0.50 1 calc PR B 1
H21C H -0.0622 0.5209 0.1225 0.089 Uiso 0.50 1 calc PR B 1
C21B C -0.0389(8) 0.5345(6) 0.0873(5) 0.0595(17) Uiso 0.50 1 d PD B 2
H21D H -0.0499 0.4787 0.0882 0.089 Uiso 0.50 1 calc PR B 2
H21E H -0.0746 0.5539 0.0443 0.089 Uiso 0.50 1 calc PR B 2
H21F H -0.0810 0.5586 0.1182 0.089 Uiso 0.50 1 calc PR B 2
C22 C -0.0511(4) 0.6351(3) 0.2340(3) 0.0703(14) Uani 1 1 d . B .
H22A H -0.0815 0.6810 0.2091 0.105 Uiso 1 1 calc R . .
H22B H -0.0659 0.6403 0.2773 0.105 Uiso 1 1 calc R . .
H22C H -0.0951 0.5898 0.2134 0.105 Uiso 1 1 calc R . .
C23 C 0.1696(4) 0.5291(2) 0.2785(2) 0.0559(11) Uani 1 1 d . B .
H23A H 0.1283 0.4871 0.2515 0.084 Uiso 1 1 calc R . .
H23B H 0.1458 0.5275 0.3200 0.084 Uiso 1 1 calc R . .
H23C H 0.2600 0.5232 0.2849 0.084 Uiso 1 1 calc R . .
C24 C 0.5238(4) 0.6395(2) 0.1450(2) 0.0515(10) Uani 1 1 d . B .
H24A H 0.5090 0.5945 0.1707 0.062 Uiso 1 1 calc R . .
H24B H 0.5472 0.6839 0.1740 0.062 Uiso 1 1 calc R . .
C25 C 0.6236(4) 0.6225(3) 0.1098(2) 0.0740(15) Uani 1 1 d . . .
H25A H 0.6667 0.6701 0.1014 0.089 Uiso 1 1 calc R B .
H25B H 0.6854 0.5862 0.1340 0.089 Uiso 1 1 calc R . .
C26 C 0.5548(5) 0.5874(4) 0.0491(3) 0.0893(19) Uani 1 1 d . B .
H26A H 0.5525 0.5308 0.0533 0.107 Uiso 1 1 calc R . .
H26B H 0.5960 0.6001 0.0136 0.107 Uiso 1 1 calc R . .
C27 C 0.4259(4) 0.6195(3) 0.0361(2) 0.0567(11) Uani 1 1 d . B .
H27A H 0.4143 0.6571 0.0006 0.068 Uiso 1 1 calc R . .
H27B H 0.3638 0.5780 0.0244 0.068 Uiso 1 1 calc R . .


_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
Lu1 N1 2.183(3) . ?
Lu1 N3 2.186(3) . ?
Lu1 N2 2.196(3) . ?
Lu1 O1 2.320(2) . ?
Lu1 Si3 3.0105(11) . ?
Lu1 Si4 3.0714(11) . ?
Lu1 H3 2.44(4) . ?
Si1 N1 1.722(3) . ?
Si1 C15 1.857(5) . ?
Si1 C13B 1.859(9) . ?
Si1 C14 1.864(5) . ?
Si1 C13A 1.897(9) . ?
Si2 N2 1.707(3) . ?
Si2 C16A 1.835(12) . ?
Si2 C17B 1.835(10) . ?
Si2 C16B 1.890(12) . ?
Si2 C17A 1.896(10) . ?
Si2 H2 1.37(5) . ?
Si3 N2 1.687(3) . ?
Si3 C19 1.853(5) . ?
Si3 C18 1.857(5) . ?
Si3 H3 1.46(4) . ?
Si4 N3 1.694(3) . ?
Si4 C21A 1.818(9) . ?
Si4 C20B 1.833(11) . ?
Si4 C20A 1.903(11) . ?
Si4 C21B 1.909(9) . ?
Si4 H4 1.41(4) . ?
Si5 N3 1.711(3) . ?
Si5 C23 1.865(4) . ?
Si5 C22 1.870(4) . ?
Si5 H5 1.41(4) . ?
O1 C27 1.455(4) . ?
O1 C24 1.458(4) . ?
N1 C1 1.427(4) . ?
C1 C6 1.416(5) . ?
C1 C2 1.419(5) . ?
C2 C3 1.387(5) . ?
C2 C7 1.515(5) . ?
C3 C4 1.376(6) . ?
C3 H3A 0.9400 . ?
C4 C5 1.368(6) . ?
C4 H4A 0.9400 . ?
C5 C6 1.399(5) . ?
C5 H5A 0.9400 . ?
C6 C10 1.516(5) . ?
C7 C9 1.526(6) . ?
C7 C8 1.535(6) . ?
C7 H7 0.9900 . ?
C8 H8A 0.9700 . ?
C8 H8B 0.9700 . ?
C8 H8C 0.9700 . ?
C9 H9A 0.9700 . ?
C9 H9B 0.9700 . ?
C9 H9C 0.9700 . ?
C10 C11 1.528(6) . ?
C10 C12 1.530(6) . ?
C10 H10 0.9900 . ?
C11 H11A 0.9700 . ?
C11 H11B 0.9700 . ?
C11 H11C 0.9700 . ?
C12 H12A 0.9700 . ?
C12 H12B 0.9700 . ?
C12 H12C 0.9700 . ?
C13A H13A 0.9700 . ?
C13A H13B 0.9700 . ?
C13A H13C 0.9700 . ?
C13B H13D 0.9700 . ?
C13B H13E 0.9700 . ?
C13B H13F 0.9700 . ?
C14 H14A 0.9700 . ?
C14 H14B 0.9700 . ?
C14 H14C 0.9700 . ?
C15 H15A 0.9700 . ?
C15 H15B 0.9700 . ?
C15 H15C 0.9700 . ?
C16A H16A 0.9700 . ?
C16A H16B 0.9700 . ?
C16A H16C 0.9700 . ?
C16B H16D 0.9700 . ?
C16B H16E 0.9700 . ?
C16B H16F 0.9700 . ?
C17A H17A 0.9700 . ?
C17A H17B 0.9700 . ?
C17A H17C 0.9700 . ?
C17B H17D 0.9700 . ?
C17B H17E 0.9700 . ?
C17B H17F 0.9700 . ?
C18 H18A 0.9700 . ?
C18 H18B 0.9700 . ?
C18 H18C 0.9700 . ?
C19 H19A 0.9700 . ?
C19 H19B 0.9700 . ?
C19 H19C 0.9700 . ?
C20A H20D 0.9700 . ?
C20A H20E 0.9700 . ?
C20A H20F 0.9700 . ?
C20B H20A 0.9700 . ?
C20B H20B 0.9700 . ?
C20B H20C 0.9700 . ?
C21A H21A 0.9700 . ?
C21A H21B 0.9700 . ?
C21A H21C 0.9700 . ?
C21B H21D 0.9700 . ?
C21B H21E 0.9700 . ?
C21B H21F 0.9700 . ?
C22 H22A 0.9700 . ?
C22 H22B 0.9700 . ?
C22 H22C 0.9700 . ?
C23 H23A 0.9700 . ?
C23 H23B 0.9700 . ?
C23 H23C 0.9700 . ?
C24 C25 1.475(6) . ?
C24 H24A 0.9800 . ?
C24 H24B 0.9800 . ?
C25 C26 1.472(7) . ?
C25 H25A 0.9800 . ?
C25 H25B 0.9800 . ?
C26 C27 1.480(6) . ?
C26 H26A 0.9800 . ?
C26 H26B 0.9800 . ?
C27 H27A 0.9800 . ?
C27 H27B 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
N1 Lu1 N3 113.58(10) . . ?
N1 Lu1 N2 107.35(10) . . ?
N3 Lu1 N2 106.84(11) . . ?
N1 Lu1 O1 105.19(9) . . ?
N3 Lu1 O1 97.45(10) . . ?
N2 Lu1 O1 126.36(10) . . ?
N1 Lu1 Si3 110.19(8) . . ?
N3 Lu1 Si3 128.97(8) . . ?
N2 Lu1 Si3 33.40(8) . . ?
O1 Lu1 Si3 95.22(6) . . ?
N1 Lu1 Si4 144.95(8) . . ?
N3 Lu1 Si4 32.37(8) . . ?
N2 Lu1 Si4 95.61(8) . . ?
O1 Lu1 Si4 80.23(7) . . ?
Si3 Lu1 Si4 103.59(3) . . ?
N1 Lu1 H3 106.6(9) . . ?
N3 Lu1 H3 139.7(9) . . ?
N2 Lu1 H3 62.2(8) . . ?
O1 Lu1 H3 68.3(9) . . ?
Si3 Lu1 H3 28.8(8) . . ?
Si4 Lu1 H3 107.5(9) . . ?
N1 Si1 C15 109.2(2) . . ?
N1 Si1 C13B 112.8(3) . . ?
C15 Si1 C13B 100.0(4) . . ?
N1 Si1 C14 114.2(2) . . ?
C15 Si1 C14 106.0(3) . . ?
C13B Si1 C14 113.4(4) . . ?
N1 Si1 C13A 110.1(3) . . ?
C15 Si1 C13A 119.5(4) . . ?
C13B Si1 C13A 21.5(4) . . ?
C14 Si1 C13A 97.4(4) . . ?
N2 Si2 C16A 115.7(5) . . ?
N2 Si2 C17B 112.7(4) . . ?
C16A Si2 C17B 81.6(6) . . ?
N2 Si2 C16B 109.0(5) . . ?
C16A Si2 C16B 25.3(6) . . ?
C17B Si2 C16B 106.4(6) . . ?
N2 Si2 C17A 112.6(4) . . ?
C16A Si2 C17A 107.6(6) . . ?
C17B Si2 C17A 30.2(4) . . ?
C16B Si2 C17A 129.5(6) . . ?
N2 Si2 H2 111(2) . . ?
C16A Si2 H2 112(2) . . ?
C17B Si2 H2 122(2) . . ?
C16B Si2 H2 94(2) . . ?
C17A Si2 H2 97(2) . . ?
N2 Si3 C19 117.3(2) . . ?
N2 Si3 C18 117.63(19) . . ?
C19 Si3 C18 109.0(2) . . ?
N2 Si3 Lu1 45.75(10) . . ?
C19 Si3 Lu1 123.08(19) . . ?
C18 Si3 Lu1 127.08(17) . . ?
N2 Si3 H3 99.1(14) . . ?
C19 Si3 H3 104.6(15) . . ?
C18 Si3 H3 107.4(15) . . ?
Lu1 Si3 H3 53.4(14) . . ?
N3 Si4 C21A 121.5(3) . . ?
N3 Si4 C20B 120.4(4) . . ?
C21A Si4 C20B 92.9(5) . . ?
N3 Si4 C20A 110.7(4) . . ?
C21A Si4 C20A 106.3(5) . . ?
C20B Si4 C20A 13.5(6) . . ?
N3 Si4 C21B 110.2(3) . . ?
C21A Si4 C21B 17.9(4) . . ?
C20B Si4 C21B 110.7(5) . . ?
C20A Si4 C21B 124.2(5) . . ?
N3 Si4 Lu1 43.70(10) . . ?
C21A Si4 Lu1 141.7(3) . . ?
C20B Si4 Lu1 125.4(4) . . ?
C20A Si4 Lu1 112.0(4) . . ?
C21B Si4 Lu1 123.8(3) . . ?
N3 Si4 H4 102.4(15) . . ?
C21A Si4 H4 109.9(14) . . ?
C20B Si4 H4 109.6(15) . . ?
C20A Si4 H4 104.9(15) . . ?
C21B Si4 H4 101.7(14) . . ?
Lu1 Si4 H4 59.4(15) . . ?
N3 Si5 C23 111.84(17) . . ?
N3 Si5 C22 114.0(2) . . ?
C23 Si5 C22 107.2(2) . . ?
N3 Si5 H5 109.6(14) . . ?
C23 Si5 H5 107.9(15) . . ?
C22 Si5 H5 106.0(14) . . ?
C27 O1 C24 107.5(3) . . ?
C27 O1 Lu1 128.8(2) . . ?
C24 O1 Lu1 123.5(2) . . ?
C1 N1 Si1 119.6(2) . . ?
C1 N1 Lu1 115.0(2) . . ?
Si1 N1 Lu1 124.92(15) . . ?
Si3 N2 Si2 125.18(18) . . ?
Si3 N2 Lu1 100.85(14) . . ?
Si2 N2 Lu1 133.55(17) . . ?
Si4 N3 Si5 122.59(17) . . ?
Si4 N3 Lu1 103.92(14) . . ?
Si5 N3 Lu1 133.33(16) . . ?
C6 C1 C2 118.3(3) . . ?
C6 C1 N1 120.9(3) . . ?
C2 C1 N1 120.9(3) . . ?
C3 C2 C1 119.5(3) . . ?
C3 C2 C7 118.4(4) . . ?
C1 C2 C7 122.1(3) . . ?
C4 C3 C2 121.9(4) . . ?
C4 C3 H3A 119.0 . . ?
C2 C3 H3A 119.0 . . ?
C5 C4 C3 119.2(4) . . ?
C5 C4 H4A 120.4 . . ?
C3 C4 H4A 120.4 . . ?
C4 C5 C6 121.6(4) . . ?
C4 C5 H5A 119.2 . . ?
C6 C5 H5A 119.2 . . ?
C5 C6 C1 119.5(4) . . ?
C5 C6 C10 118.2(3) . . ?
C1 C6 C10 122.3(3) . . ?
C2 C7 C9 111.6(3) . . ?
C2 C7 C8 112.5(4) . . ?
C9 C7 C8 109.7(4) . . ?
C2 C7 H7 107.6 . . ?
C9 C7 H7 107.6 . . ?
C8 C7 H7 107.6 . . ?
C7 C8 H8A 109.5 . . ?
C7 C8 H8B 109.5 . . ?
H8A C8 H8B 109.5 . . ?
C7 C8 H8C 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
C7 C9 H9A 109.5 . . ?
C7 C9 H9B 109.5 . . ?
H9A C9 H9B 109.5 . . ?
C7 C9 H9C 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
C6 C10 C11 113.0(4) . . ?
C6 C10 C12 111.0(4) . . ?
C11 C10 C12 110.4(4) . . ?
C6 C10 H10 107.4 . . ?
C11 C10 H10 107.4 . . ?
C12 C10 H10 107.4 . . ?
C10 C11 H11A 109.5 . . ?
C10 C11 H11B 109.5 . . ?
H11A C11 H11B 109.5 . . ?
C10 C11 H11C 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
C10 C12 H12A 109.5 . . ?
C10 C12 H12B 109.5 . . ?
H12A C12 H12B 109.5 . . ?
C10 C12 H12C 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
Si1 C13A H13A 109.5 . . ?
Si1 C13A H13B 109.5 . . ?
H13A C13A H13B 109.5 . . ?
Si1 C13A H13C 109.5 . . ?
H13A C13A H13C 109.5 . . ?
H13B C13A H13C 109.5 . . ?
Si1 C13B H13D 109.5 . . ?
Si1 C13B H13E 109.5 . . ?
H13D C13B H13E 109.5 . . ?
Si1 C13B H13F 109.5 . . ?
H13D C13B H13F 109.5 . . ?
H13E C13B H13F 109.5 . . ?
Si1 C14 H14A 109.5 . . ?
Si1 C14 H14B 109.5 . . ?
H14A C14 H14B 109.5 . . ?
Si1 C14 H14C 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
Si1 C15 H15A 109.5 . . ?
Si1 C15 H15B 109.5 . . ?
H15A C15 H15B 109.5 . . ?
Si1 C15 H15C 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
Si2 C16A H16A 109.5 . . ?
Si2 C16A H16B 109.5 . . ?
H16A C16A H16B 109.5 . . ?
Si2 C16A H16C 109.5 . . ?
H16A C16A H16C 109.5 . . ?
H16B C16A H16C 109.5 . . ?
Si2 C16B H16D 109.5 . . ?
Si2 C16B H16E 109.5 . . ?
H16D C16B H16E 109.5 . . ?
Si2 C16B H16F 109.5 . . ?
H16D C16B H16F 109.5 . . ?
H16E C16B H16F 109.5 . . ?
Si2 C17A H17A 109.5 . . ?
Si2 C17A H17B 109.5 . . ?
H17A C17A H17B 109.5 . . ?
Si2 C17A H17C 109.5 . . ?
H17A C17A H17C 109.5 . . ?
H17B C17A H17C 109.5 . . ?
Si2 C17B H17D 109.5 . . ?
Si2 C17B H17E 109.5 . . ?
H17D C17B H17E 109.5 . . ?
Si2 C17B H17F 109.5 . . ?
H17D C17B H17F 109.5 . . ?
H17E C17B H17F 109.5 . . ?
Si3 C18 H18A 109.5 . . ?
Si3 C18 H18B 109.5 . . ?
H18A C18 H18B 109.5 . . ?
Si3 C18 H18C 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
Si3 C19 H19A 109.5 . . ?
Si3 C19 H19B 109.5 . . ?
H19A C19 H19B 109.5 . . ?
Si3 C19 H19C 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
Si4 C20A H20D 109.5 . . ?
Si4 C20A H20E 109.5 . . ?
H20D C20A H20E 109.5 . . ?
Si4 C20A H20F 109.5 . . ?
H20D C20A H20F 109.5 . . ?
H20E C20A H20F 109.5 . . ?
Si4 C20B H20A 109.5 . . ?
Si4 C20B H20B 109.5 . . ?
H20A C20B H20B 109.5 . . ?
Si4 C20B H20C 109.5 . . ?
H20A C20B H20C 109.5 . . ?
H20B C20B H20C 109.5 . . ?
Si4 C21A H21A 109.5 . . ?
Si4 C21A H21B 109.5 . . ?
H21A C21A H21B 109.5 . . ?
Si4 C21A H21C 109.5 . . ?
H21A C21A H21C 109.5 . . ?
H21B C21A H21C 109.5 . . ?
Si4 C21B H21D 109.5 . . ?
Si4 C21B H21E 109.5 . . ?
H21D C21B H21E 109.5 . . ?
Si4 C21B H21F 109.5 . . ?
H21D C21B H21F 109.5 . . ?
H21E C21B H21F 109.5 . . ?
Si5 C22 H22A 109.5 . . ?
Si5 C22 H22B 109.5 . . ?
H22A C22 H22B 109.5 . . ?
Si5 C22 H22C 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
Si5 C23 H23A 109.5 . . ?
Si5 C23 H23B 109.5 . . ?
H23A C23 H23B 109.5 . . ?
Si5 C23 H23C 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
O1 C24 C25 105.8(3) . . ?
O1 C24 H24A 110.6 . . ?
C25 C24 H24A 110.6 . . ?
O1 C24 H24B 110.6 . . ?
C25 C24 H24B 110.6 . . ?
H24A C24 H24B 108.7 . . ?
C26 C25 C24 103.4(4) . . ?
C26 C25 H25A 111.1 . . ?
C24 C25 H25A 111.1 . . ?
C26 C25 H25B 111.1 . . ?
C24 C25 H25B 111.1 . . ?
H25A C25 H25B 109.0 . . ?
C25 C26 C27 107.1(4) . . ?
C25 C26 H26A 110.3 . . ?
C27 C26 H26A 110.3 . . ?
C25 C26 H26B 110.3 . . ?
C27 C26 H26B 110.3 . . ?
H26A C26 H26B 108.6 . . ?
O1 C27 C26 106.1(4) . . ?
O1 C27 H27A 110.5 . . ?
C26 C27 H27A 110.5 . . ?
O1 C27 H27B 110.5 . . ?
C26 C27 H27B 110.5 . . ?
H27A C27 H27B 108.7 . . ?

_diffrn_measured_fraction_theta_max 0.998
_diffrn_reflns_theta_full        25.50
_diffrn_measured_fraction_theta_full 0.998
_refine_diff_density_max         0.631
_refine_diff_density_min         -0.666
_refine_diff_density_rms         0.071
####################################################################### 
# 
# 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_shelxl2
_database_code_depnum_ccdc_archive 'CCDC 1430244'
_audit_update_record             
;
2015-10-08 deposited with the CCDC.
2015-12-02 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C23 H50 Al2 N Si Y'
_chemical_formula_sum            'C23 H50 Al2 N Si Y'
_chemical_formula_weight         511.60

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Y Y -2.7962 3.5667 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Al Al 0.0645 0.0514 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Si Si 0.0817 0.0704 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   'P 21/c'
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_Int_Tables_number      14

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'

_cell_length_a                   14.709(4)
_cell_length_b                   12.437(3)
_cell_length_c                   17.541(5)
_cell_angle_alpha                90.00
_cell_angle_beta                 112.473(7)
_cell_angle_gamma                90.00
_cell_volume                     2965.1(14)
_cell_formula_units_Z            4
_cell_measurement_temperature    293(2)
_cell_measurement_reflns_used    11555
_cell_measurement_theta_min      3.1
_cell_measurement_theta_max      25.3

_exptl_crystal_description       block
_exptl_crystal_colour            colorless
_exptl_crystal_size_max          0.80
_exptl_crystal_size_mid          0.60
_exptl_crystal_size_min          0.40
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.146
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1096
_exptl_absorpt_coefficient_mu    2.075
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Jacobson, R. (1998) Private communication'
_exptl_absorpt_correction_T_min  0.210
_exptl_absorpt_correction_T_max  0.436

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      293(2)
_diffrn_radiation_wavelength     0.71070
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Rigaku Mercury'
_diffrn_measurement_method       ω
_diffrn_detector_area_resol_mean 7.31
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            27401
_diffrn_reflns_av_R_equivalents  0.1131
_diffrn_reflns_av_sigmaI/netI    0.0875
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_theta_min         3.09
_diffrn_reflns_theta_max         25.35
_reflns_number_total             5411
_reflns_number_gt                4697
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       CrystalClear
_computing_cell_refinement       CrystalClear
_computing_data_reduction        CrystalStructure
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    ?
_computing_publication_material  ?

_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.1075P)²+4.1201P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         5411
_refine_ls_number_parameters     301
_refine_ls_number_restraints     15
_refine_ls_R_factor_all          0.1176
_refine_ls_R_factor_gt           0.1008
_refine_ls_wR_factor_ref         0.2442
_refine_ls_wR_factor_gt          0.2350
_refine_ls_goodness_of_fit_ref   1.296
_refine_ls_restrained_S_all      1.294
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Y1 Y 0.31866(5) 0.20680(5) 0.54896(4) 0.0245(3) Uani 1 1 d . . .
Al1 Al 0.32595(16) -0.02554(17) 0.53968(14) 0.0315(6) Uani 1 1 d . . .
Al2 Al 0.50397(17) 0.33454(19) 0.65370(14) 0.0348(6) Uani 1 1 d . . .
Si1 Si 0.20406(16) 0.40932(16) 0.39523(12) 0.0305(5) Uani 1 1 d . . .
N1 N 0.2108(4) 0.3220(4) 0.4742(3) 0.0248(13) Uani 1 1 d . . .
C1 C 0.1369(5) 0.3035(5) 0.5066(4) 0.0236(15) Uani 1 1 d . . .
C2 C 0.0592(5) 0.2280(6) 0.4703(4) 0.0275(16) Uani 1 1 d . . .
C3 C -0.0017(6) 0.2017(6) 0.5112(5) 0.0344(18) Uani 1 1 d . . .
H3 H -0.0518 0.1519 0.4874 0.041 Uiso 1 1 calc R . .
C4 C 0.0095(6) 0.2468(6) 0.5862(5) 0.0363(18) Uani 1 1 d . . .
H4 H -0.0305 0.2255 0.6136 0.044 Uiso 1 1 calc R . .
C5 C 0.0809(6) 0.3240(6) 0.6196(4) 0.0317(17) Uani 1 1 d . . .
H5 H 0.0872 0.3558 0.6694 0.038 Uiso 1 1 calc R . .
C6 C 0.1442(5) 0.3560(5) 0.5812(4) 0.0253(15) Uani 1 1 d . . .
C7 C 0.0386(6) 0.1764(6) 0.3855(4) 0.0327(17) Uani 1 1 d . . .
H7 H 0.0894 0.2003 0.3660 0.039 Uiso 1 1 calc R . .
C8 C 0.0404(6) 0.0537(7) 0.3894(5) 0.043(2) Uani 1 1 d . . .
H8A H 0.0991 0.0304 0.4338 0.064 Uiso 1 1 calc R . .
H8B H 0.0394 0.0252 0.3383 0.064 Uiso 1 1 calc R . .
H8C H -0.0162 0.0285 0.3987 0.064 Uiso 1 1 calc R . .
C9 C -0.0624(7) 0.2141(7) 0.3231(5) 0.049(2) Uani 1 1 d . . .
H9A H -0.1137 0.1835 0.3374 0.073 Uiso 1 1 calc R . .
H9B H -0.0703 0.1912 0.2686 0.073 Uiso 1 1 calc R . .
H9C H -0.0660 0.2911 0.3244 0.073 Uiso 1 1 calc R . .
C10 C 0.2104(5) 0.4535(6) 0.6132(4) 0.0306(16) Uani 1 1 d . . .
H10 H 0.2697 0.4438 0.6012 0.037 Uiso 1 1 calc R . .
C11 C 0.2419(7) 0.4709(6) 0.7077(5) 0.043(2) Uani 1 1 d . . .
H11A H 0.1870 0.4978 0.7188 0.064 Uiso 1 1 calc R . .
H11B H 0.2948 0.5220 0.7267 0.064 Uiso 1 1 calc R . .
H11C H 0.2633 0.4038 0.7359 0.064 Uiso 1 1 calc R . .
C12 C 0.1556(6) 0.5545(6) 0.5675(5) 0.0380(19) Uani 1 1 d . . .
H12A H 0.1389 0.5459 0.5093 0.057 Uiso 1 1 calc R . .
H12B H 0.1973 0.6163 0.5868 0.057 Uiso 1 1 calc R . .
H12C H 0.0967 0.5642 0.5780 0.057 Uiso 1 1 calc R . .
C13 C 0.0769(6) 0.4641(7) 0.3426(6) 0.051(2) Uani 1 1 d . . .
H13A H 0.0378 0.4139 0.3016 0.076 Uiso 1 1 calc R . .
H13B H 0.0798 0.5312 0.3166 0.076 Uiso 1 1 calc R . .
H13C H 0.0478 0.4753 0.3825 0.076 Uiso 1 1 calc R . .
C14 C 0.2914(7) 0.5242(6) 0.4319(5) 0.044(2) Uani 1 1 d . . .
H14A H 0.2736 0.5675 0.4693 0.066 Uiso 1 1 calc R . .
H14B H 0.2887 0.5670 0.3855 0.066 Uiso 1 1 calc R . .
H14C H 0.3570 0.4971 0.4597 0.066 Uiso 1 1 calc R . .
C15 C 0.2389(7) 0.3371(7) 0.3170(5) 0.044(2) Uani 1 1 d . . .
H15A H 0.3042 0.3087 0.3431 0.065 Uiso 1 1 calc R . .
H15B H 0.2368 0.3862 0.2742 0.065 Uiso 1 1 calc R . .
H15C H 0.1935 0.2792 0.2937 0.065 Uiso 1 1 calc R . .
C16 C 0.2473(6) 0.0433(6) 0.6033(5) 0.0347(18) Uani 1 1 d D . .
H16A H 0.221(4) 0.114(2) 0.603(4) 0.052 Uiso 1 1 d D . .
H16B H 0.194(3) -0.008(3) 0.586(4) 0.052 Uiso 1 1 d D . .
H16C H 0.293(4) 0.026(4) 0.6575(19) 0.052 Uiso 1 1 d D . .
C17 C 0.2976(6) 0.0680(7) 0.4349(5) 0.0328(17) Uani 1 1 d D . .
H17A H 0.239(3) 0.104(6) 0.400(4) 0.049 Uiso 1 1 d D . .
H17B H 0.348(4) 0.108(6) 0.425(5) 0.049 Uiso 1 1 d D . .
H17C H 0.300(6) 0.011(5) 0.399(4) 0.049 Uiso 1 1 d D . .
C18 C 0.2844(8) -0.1734(7) 0.5097(7) 0.060(3) Uani 1 1 d . . .
H18A H 0.3103 -0.1987 0.4704 0.090 Uiso 1 1 calc R . .
H18B H 0.2138 -0.1767 0.4858 0.090 Uiso 1 1 calc R . .
H18C H 0.3085 -0.2179 0.5581 0.090 Uiso 1 1 calc R . .
C19 C 0.4677(6) 0.0020(8) 0.6078(5) 0.046(2) Uani 1 1 d . . .
H19A H 0.4870 -0.0389 0.6579 0.069 Uiso 1 1 calc R . .
H19B H 0.4772 0.0772 0.6207 0.069 Uiso 1 1 calc R . .
H19C H 0.5070 -0.0191 0.5774 0.069 Uiso 1 1 calc R . .
C20 C 0.4068(6) 0.2632(6) 0.6976(5) 0.0363(18) Uani 1 1 d D . .
H20A H 0.3365(12) 0.269(7) 0.679(5) 0.054 Uiso 1 1 d D . .
H20B H 0.414(6) 0.1869(15) 0.706(5) 0.054 Uiso 1 1 d D . .
H20C H 0.441(6) 0.305(6) 0.746(3) 0.054 Uiso 1 1 d D . .
C21 C 0.4669(6) 0.2851(7) 0.5323(5) 0.0364(18) Uani 1 1 d D . .
H21A H 0.410(4) 0.308(7) 0.487(4) 0.055 Uiso 1 1 d D . .
H21B H 0.485(6) 0.215(3) 0.520(6) 0.055 Uiso 1 1 d D . .
H21C H 0.523(4) 0.318(6) 0.528(5) 0.055 Uiso 1 1 d D . .
C22 C 0.4935(6) 0.4921(6) 0.6552(5) 0.043(2) Uani 1 1 d . . .
H22A H 0.5427 0.5197 0.7050 0.065 Uiso 1 1 calc R . .
H22B H 0.4294 0.5117 0.6529 0.065 Uiso 1 1 calc R . .
H22C H 0.5034 0.5217 0.6084 0.065 Uiso 1 1 calc R . .
C23 C 0.6324(6) 0.2722(7) 0.7189(6) 0.053(2) Uani 1 1 d . . .
H23A H 0.6834 0.3206 0.7194 0.079 Uiso 1 1 calc R . .
H23B H 0.6397 0.2050 0.6948 0.079 Uiso 1 1 calc R . .
H23C H 0.6372 0.2602 0.7743 0.079 Uiso 1 1 calc R . .


_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
Y1 N1 2.167(6) . ?
Y1 C21 2.504(8) . ?
Y1 C20 2.527(8) . ?
Y1 C17 2.570(8) . ?
Y1 C16 2.629(8) . ?
Y1 C1 2.762(7) . ?
Y1 Al1 2.898(2) . ?
Y1 Al2 3.082(2) . ?
Y1 H16A 2.30(7) . ?
Y1 H20A 2.32(9) . ?
Y1 H20B 2.59(9) . ?
Y1 H21A 2.39(9) . ?
Al1 C18 1.946(9) . ?
Al1 C19 1.997(9) . ?
Al1 C16 2.074(8) . ?
Al1 C17 2.078(8) . ?
Al2 C23 1.956(9) . ?
Al2 C22 1.966(8) . ?
Al2 C20 2.065(8) . ?
Al2 C21 2.078(9) . ?
Si1 N1 1.733(6) . ?
Si1 C14 1.864(8) . ?
Si1 C15 1.868(8) . ?
Si1 C13 1.869(8) . ?
N1 C1 1.426(9) . ?
C1 C2 1.427(10) . ?
C1 C6 1.430(9) . ?
C2 C3 1.384(10) . ?
C2 C7 1.541(10) . ?
C3 C4 1.380(11) . ?
C3 H3 0.9300 . ?
C4 C5 1.377(11) . ?
C4 H4 0.9300 . ?
C5 C6 1.400(10) . ?
C5 H5 0.9300 . ?
C6 C10 1.521(10) . ?
C7 C8 1.527(11) . ?
C7 C9 1.543(11) . ?
C7 H7 0.9800 . ?
C8 H8A 0.9600 . ?
C8 H8B 0.9600 . ?
C8 H8C 0.9600 . ?
C9 H9A 0.9600 . ?
C9 H9B 0.9600 . ?
C9 H9C 0.9600 . ?
C10 C12 1.541(10) . ?
C10 C11 1.557(10) . ?
C10 H10 0.9800 . ?
C11 H11A 0.9600 . ?
C11 H11B 0.9600 . ?
C11 H11C 0.9600 . ?
C12 H12A 0.9600 . ?
C12 H12B 0.9600 . ?
C12 H12C 0.9600 . ?
C13 H13A 0.9600 . ?
C13 H13B 0.9600 . ?
C13 H13C 0.9600 . ?
C14 H14A 0.9600 . ?
C14 H14B 0.9600 . ?
C14 H14C 0.9600 . ?
C15 H15A 0.9600 . ?
C15 H15B 0.9600 . ?
C15 H15C 0.9600 . ?
C16 H16A 0.960(10) . ?
C16 H16B 0.961(10) . ?
C16 H16C 0.957(10) . ?
C17 H17A 0.961(10) . ?
C17 H17B 0.961(10) . ?
C17 H17C 0.962(10) . ?
C18 H18A 0.9600 . ?
C18 H18B 0.9600 . ?
C18 H18C 0.9600 . ?
C19 H19A 0.9600 . ?
C19 H19B 0.9600 . ?
C19 H19C 0.9600 . ?
C20 H20A 0.960(10) . ?
C20 H20B 0.960(10) . ?
C20 H20C 0.960(10) . ?
C21 H21A 0.959(10) . ?
C21 H21B 0.960(10) . ?
C21 H21C 0.960(10) . ?
C22 H22A 0.9600 . ?
C22 H22B 0.9600 . ?
C22 H22C 0.9600 . ?
C23 H23A 0.9600 . ?
C23 H23B 0.9600 . ?
C23 H23C 0.9600 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
N1 Y1 C21 98.1(2) . . ?
N1 Y1 C20 114.1(2) . . ?
C21 Y1 C20 83.5(3) . . ?
N1 Y1 C17 97.5(2) . . ?
C21 Y1 C17 91.2(3) . . ?
C20 Y1 C17 148.3(3) . . ?
N1 Y1 C16 115.4(2) . . ?
C21 Y1 C16 146.0(3) . . ?
C20 Y1 C16 87.7(2) . . ?
C17 Y1 C16 79.4(2) . . ?
N1 Y1 C1 30.7(2) . . ?
C21 Y1 C1 126.6(2) . . ?
C20 Y1 C1 102.6(2) . . ?
C17 Y1 C1 105.5(2) . . ?
C16 Y1 C1 87.4(2) . . ?
N1 Y1 Al1 131.24(16) . . ?
C21 Y1 Al1 109.2(2) . . ?
C20 Y1 Al1 108.61(19) . . ?
C17 Y1 Al1 44.16(19) . . ?
C16 Y1 Al1 43.75(17) . . ?
C1 Y1 Al1 118.15(15) . . ?
N1 Y1 Al2 107.21(16) . . ?
C21 Y1 Al2 42.1(2) . . ?
C20 Y1 Al2 41.75(19) . . ?
C17 Y1 Al2 128.77(19) . . ?
C16 Y1 Al2 124.56(18) . . ?
C1 Y1 Al2 118.71(15) . . ?
Al1 Y1 Al2 120.27(7) . . ?
N1 Y1 H16A 98.9(9) . . ?
C21 Y1 H16A 161.3(13) . . ?
C20 Y1 H16A 82.4(14) . . ?
C17 Y1 H16A 94.4(11) . . ?
C16 Y1 H16A 21.2(4) . . ?
C1 Y1 H16A 68.9(8) . . ?
Al1 Y1 H16A 64.3(6) . . ?
Al2 Y1 H16A 123.9(14) . . ?
N1 Y1 H20A 99.0(16) . . ?
C21 Y1 H20A 102.0(13) . . ?
C20 Y1 H20A 22.3(3) . . ?
C17 Y1 H20A 157(2) . . ?
C16 Y1 H20A 79(2) . . ?
C1 Y1 H20A 81.6(8) . . ?
Al1 Y1 H20A 113(2) . . ?
Al2 Y1 H20A 60.1(11) . . ?
H16A Y1 H20A 67(2) . . ?
N1 Y1 H20B 132.9(12) . . ?
C21 Y1 H20B 91.3(19) . . ?
C20 Y1 H20B 21.6(5) . . ?
C17 Y1 H20B 128.5(9) . . ?
C16 Y1 H20B 70.5(13) . . ?
C1 Y1 H20B 113.6(18) . . ?
Al1 Y1 H20B 87.0(6) . . ?
Al2 Y1 H20B 54.5(15) . . ?
H16A Y1 H20B 71(2) . . ?
H20A Y1 H20B 34(2) . . ?
N1 Y1 H21A 77.4(9) . . ?
C21 Y1 H21A 22.5(3) . . ?
C20 Y1 H21A 99.8(15) . . ?
C17 Y1 H21A 85(2) . . ?
C16 Y1 H21A 161(2) . . ?
C1 Y1 H21A 107.5(11) . . ?
Al1 Y1 H21A 118(2) . . ?
Al2 Y1 H21A 58.5(13) . . ?
H16A Y1 H21A 176.2(12) . . ?
H20A Y1 H21A 114(3) . . ?
H20B Y1 H21A 112(2) . . ?
C18 Al1 C19 118.2(4) . . ?
C18 Al1 C16 110.7(4) . . ?
C19 Al1 C16 106.1(3) . . ?
C18 Al1 C17 110.7(4) . . ?
C19 Al1 C17 104.1(3) . . ?
C16 Al1 C17 106.3(3) . . ?
C18 Al1 Y1 160.5(4) . . ?
C19 Al1 Y1 81.3(3) . . ?
C16 Al1 Y1 61.2(2) . . ?
C17 Al1 Y1 59.5(2) . . ?
C23 Al2 C22 116.8(4) . . ?
C23 Al2 C20 105.3(4) . . ?
C22 Al2 C20 110.8(4) . . ?
C23 Al2 C21 107.3(4) . . ?
C22 Al2 C21 108.5(3) . . ?
C20 Al2 C21 107.8(3) . . ?
C23 Al2 Y1 125.5(3) . . ?
C22 Al2 Y1 117.8(3) . . ?
C20 Al2 Y1 54.6(2) . . ?
C21 Al2 Y1 53.9(2) . . ?
N1 Si1 C14 112.5(3) . . ?
N1 Si1 C15 109.7(3) . . ?
C14 Si1 C15 106.0(4) . . ?
N1 Si1 C13 111.4(3) . . ?
C14 Si1 C13 108.6(4) . . ?
C15 Si1 C13 108.4(4) . . ?
C1 N1 Si1 126.9(5) . . ?
C1 N1 Y1 98.4(4) . . ?
Si1 N1 Y1 134.7(3) . . ?
N1 C1 C2 122.1(6) . . ?
N1 C1 C6 119.3(6) . . ?
C2 C1 C6 118.5(6) . . ?
N1 C1 Y1 50.9(3) . . ?
C2 C1 Y1 111.1(4) . . ?
C6 C1 Y1 103.1(4) . . ?
C3 C2 C1 119.4(7) . . ?
C3 C2 C7 118.3(6) . . ?
C1 C2 C7 122.3(6) . . ?
C4 C3 C2 122.2(7) . . ?
C4 C3 H3 118.9 . . ?
C2 C3 H3 118.9 . . ?
C5 C4 C3 118.9(7) . . ?
C5 C4 H4 120.5 . . ?
C3 C4 H4 120.5 . . ?
C4 C5 C6 122.1(7) . . ?
C4 C5 H5 118.9 . . ?
C6 C5 H5 118.9 . . ?
C5 C6 C1 118.7(6) . . ?
C5 C6 C10 119.9(6) . . ?
C1 C6 C10 121.0(6) . . ?
C8 C7 C2 112.3(6) . . ?
C8 C7 C9 109.4(6) . . ?
C2 C7 C9 109.9(6) . . ?
C8 C7 H7 108.4 . . ?
C2 C7 H7 108.4 . . ?
C9 C7 H7 108.4 . . ?
C7 C8 H8A 109.5 . . ?
C7 C8 H8B 109.5 . . ?
H8A C8 H8B 109.5 . . ?
C7 C8 H8C 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
C7 C9 H9A 109.5 . . ?
C7 C9 H9B 109.5 . . ?
H9A C9 H9B 109.5 . . ?
C7 C9 H9C 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
C6 C10 C12 109.0(6) . . ?
C6 C10 C11 113.0(6) . . ?
C12 C10 C11 108.9(6) . . ?
C6 C10 H10 108.6 . . ?
C12 C10 H10 108.6 . . ?
C11 C10 H10 108.6 . . ?
C10 C11 H11A 109.5 . . ?
C10 C11 H11B 109.5 . . ?
H11A C11 H11B 109.5 . . ?
C10 C11 H11C 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
C10 C12 H12A 109.5 . . ?
C10 C12 H12B 109.5 . . ?
H12A C12 H12B 109.5 . . ?
C10 C12 H12C 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
Si1 C13 H13A 109.5 . . ?
Si1 C13 H13B 109.5 . . ?
H13A C13 H13B 109.5 . . ?
Si1 C13 H13C 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
Si1 C14 H14A 109.5 . . ?
Si1 C14 H14B 109.5 . . ?
H14A C14 H14B 109.5 . . ?
Si1 C14 H14C 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
Si1 C15 H15A 109.5 . . ?
Si1 C15 H15B 109.5 . . ?
H15A C15 H15B 109.5 . . ?
Si1 C15 H15C 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
Al1 C16 Y1 75.1(2) . . ?
Al1 C16 H16A 133(4) . . ?
Y1 C16 H16A 60(4) . . ?
Al1 C16 H16B 96(4) . . ?
Y1 C16 H16B 142(4) . . ?
H16A C16 H16B 109.4(16) . . ?
Al1 C16 H16C 97(4) . . ?
Y1 C16 H16C 108(4) . . ?
H16A C16 H16C 110.0(16) . . ?
H16B C16 H16C 109.9(16) . . ?
Al1 C17 Y1 76.4(2) . . ?
Al1 C17 H17A 131(5) . . ?
Y1 C17 H17A 90(5) . . ?
Al1 C17 H17B 123(5) . . ?
Y1 C17 H17B 86(5) . . ?
H17A C17 H17B 102(7) . . ?
Al1 C17 H17C 97(5) . . ?
Y1 C17 H17C 170(5) . . ?
H17A C17 H17C 100(7) . . ?
H17B C17 H17C 92(7) . . ?
Al1 C18 H18A 109.5 . . ?
Al1 C18 H18B 109.5 . . ?
H18A C18 H18B 109.5 . . ?
Al1 C18 H18C 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
Al1 C19 H19A 109.5 . . ?
Al1 C19 H19B 109.5 . . ?
H19A C19 H19B 109.5 . . ?
Al1 C19 H19C 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
Al2 C20 Y1 83.7(3) . . ?
Al2 C20 H20A 130(6) . . ?
Y1 C20 H20A 67(6) . . ?
Al2 C20 H20B 116(6) . . ?
Y1 C20 H20B 83(5) . . ?
H20A C20 H20B 99(7) . . ?
Al2 C20 H20C 84(6) . . ?
Y1 C20 H20C 162(5) . . ?
H20A C20 H20C 114(8) . . ?
H20B C20 H20C 114(7) . . ?
Al2 C21 Y1 84.0(3) . . ?
Al2 C21 H21A 125(5) . . ?
Y1 C21 H21A 72(5) . . ?
Al2 C21 H21B 121(6) . . ?
Y1 C21 H21B 90(6) . . ?
H21A C21 H21B 108(8) . . ?
Al2 C21 H21C 94(5) . . ?
Y1 C21 H21C 177(6) . . ?
H21A C21 H21C 108(8) . . ?
H21B C21 H21C 93(7) . . ?
Al2 C22 H22A 109.5 . . ?
Al2 C22 H22B 109.5 . . ?
H22A C22 H22B 109.5 . . ?
Al2 C22 H22C 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
Al2 C23 H23A 109.5 . . ?
Al2 C23 H23B 109.5 . . ?
H23A C23 H23B 109.5 . . ?
Al2 C23 H23C 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 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
N1 Y1 Al1 C18 -15.1(10) . . . . ?
C21 Y1 Al1 C18 -135.3(10) . . . . ?
C20 Y1 Al1 C18 135.3(10) . . . . ?
C17 Y1 Al1 C18 -64.3(10) . . . . ?
C16 Y1 Al1 C18 69.7(10) . . . . ?
C1 Y1 Al1 C18 19.0(10) . . . . ?
Al2 Y1 Al1 C18 179.6(10) . . . . ?
N1 Y1 Al1 C19 161.3(3) . . . . ?
C21 Y1 Al1 C19 41.1(3) . . . . ?
C20 Y1 Al1 C19 -48.3(3) . . . . ?
C17 Y1 Al1 C19 112.1(4) . . . . ?
C16 Y1 Al1 C19 -113.9(4) . . . . ?
C1 Y1 Al1 C19 -164.6(3) . . . . ?
Al2 Y1 Al1 C19 -4.0(3) . . . . ?
N1 Y1 Al1 C16 -84.8(3) . . . . ?
C21 Y1 Al1 C16 154.9(3) . . . . ?
C20 Y1 Al1 C16 65.5(3) . . . . ?
C17 Y1 Al1 C16 -134.0(4) . . . . ?
C1 Y1 Al1 C16 -50.7(3) . . . . ?
Al2 Y1 Al1 C16 109.9(3) . . . . ?
N1 Y1 Al1 C17 49.2(3) . . . . ?
C21 Y1 Al1 C17 -71.0(3) . . . . ?
C20 Y1 Al1 C17 -160.4(3) . . . . ?
C16 Y1 Al1 C17 134.0(4) . . . . ?
C1 Y1 Al1 C17 83.3(3) . . . . ?
Al2 Y1 Al1 C17 -116.1(3) . . . . ?
N1 Y1 Al2 C23 -169.1(4) . . . . ?
C21 Y1 Al2 C23 -86.2(5) . . . . ?
C20 Y1 Al2 C23 83.7(5) . . . . ?
C17 Y1 Al2 C23 -54.0(5) . . . . ?
C16 Y1 Al2 C23 51.5(4) . . . . ?
C1 Y1 Al2 C23 159.8(4) . . . . ?
Al1 Y1 Al2 C23 -0.7(4) . . . . ?
N1 Y1 Al2 C22 10.5(3) . . . . ?
C21 Y1 Al2 C22 93.4(4) . . . . ?
C20 Y1 Al2 C22 -96.7(4) . . . . ?
C17 Y1 Al2 C22 125.6(4) . . . . ?
C16 Y1 Al2 C22 -128.9(3) . . . . ?
C1 Y1 Al2 C22 -20.6(3) . . . . ?
Al1 Y1 Al2 C22 179.0(3) . . . . ?
N1 Y1 Al2 C20 107.2(3) . . . . ?
C21 Y1 Al2 C20 -169.8(4) . . . . ?
C17 Y1 Al2 C20 -137.7(4) . . . . ?
C16 Y1 Al2 C20 -32.2(4) . . . . ?
C1 Y1 Al2 C20 76.2(3) . . . . ?
Al1 Y1 Al2 C20 -84.3(3) . . . . ?
N1 Y1 Al2 C21 -83.0(3) . . . . ?
C20 Y1 Al2 C21 169.8(4) . . . . ?
C17 Y1 Al2 C21 32.1(4) . . . . ?
C16 Y1 Al2 C21 137.7(3) . . . . ?
C1 Y1 Al2 C21 -114.0(3) . . . . ?
Al1 Y1 Al2 C21 85.5(3) . . . . ?
C14 Si1 N1 C1 112.8(6) . . . . ?
C15 Si1 N1 C1 -129.4(6) . . . . ?
C13 Si1 N1 C1 -9.4(7) . . . . ?
C14 Si1 N1 Y1 -70.4(5) . . . . ?
C15 Si1 N1 Y1 47.3(5) . . . . ?
C13 Si1 N1 Y1 167.4(5) . . . . ?
C21 Y1 N1 C1 -159.8(4) . . . . ?
C20 Y1 N1 C1 -73.4(4) . . . . ?
C17 Y1 N1 C1 107.8(4) . . . . ?
C16 Y1 N1 C1 26.0(5) . . . . ?
Al1 Y1 N1 C1 75.7(4) . . . . ?
Al2 Y1 N1 C1 -117.6(4) . . . . ?
C21 Y1 N1 Si1 22.8(5) . . . . ?
C20 Y1 N1 Si1 109.2(4) . . . . ?
C17 Y1 N1 Si1 -69.6(5) . . . . ?
C16 Y1 N1 Si1 -151.4(4) . . . . ?
C1 Y1 N1 Si1 -177.4(7) . . . . ?
Al1 Y1 N1 Si1 -101.7(4) . . . . ?
Al2 Y1 N1 Si1 65.0(4) . . . . ?
Si1 N1 C1 C2 85.4(8) . . . . ?
Y1 N1 C1 C2 -92.3(6) . . . . ?
Si1 N1 C1 C6 -99.3(7) . . . . ?
Y1 N1 C1 C6 83.0(6) . . . . ?
Si1 N1 C1 Y1 177.7(6) . . . . ?
C21 Y1 C1 N1 25.1(5) . . . . ?
C20 Y1 C1 N1 116.3(4) . . . . ?
C17 Y1 C1 N1 -78.4(4) . . . . ?
C16 Y1 C1 N1 -156.7(4) . . . . ?
Al1 Y1 C1 N1 -124.3(4) . . . . ?
Al2 Y1 C1 N1 74.8(4) . . . . ?
N1 Y1 C1 C2 114.8(6) . . . . ?
C21 Y1 C1 C2 139.9(5) . . . . ?
C20 Y1 C1 C2 -128.9(5) . . . . ?
C17 Y1 C1 C2 36.4(5) . . . . ?
C16 Y1 C1 C2 -41.9(5) . . . . ?
Al1 Y1 C1 C2 -9.5(5) . . . . ?
Al2 Y1 C1 C2 -170.4(4) . . . . ?
N1 Y1 C1 C6 -117.3(6) . . . . ?
C21 Y1 C1 C6 -92.2(5) . . . . ?
C20 Y1 C1 C6 -1.0(5) . . . . ?
C17 Y1 C1 C6 164.3(4) . . . . ?
C16 Y1 C1 C6 86.0(4) . . . . ?
Al1 Y1 C1 C6 118.4(4) . . . . ?
Al2 Y1 C1 C6 -42.5(5) . . . . ?
N1 C1 C2 C3 170.4(6) . . . . ?
C6 C1 C2 C3 -4.9(10) . . . . ?
Y1 C1 C2 C3 114.2(6) . . . . ?
N1 C1 C2 C7 -11.3(10) . . . . ?
C6 C1 C2 C7 173.4(6) . . . . ?
Y1 C1 C2 C7 -67.6(7) . . . . ?
C1 C2 C3 C4 0.5(11) . . . . ?
C7 C2 C3 C4 -177.8(7) . . . . ?
C2 C3 C4 C5 2.8(12) . . . . ?
C3 C4 C5 C6 -1.7(12) . . . . ?
C4 C5 C6 C1 -2.6(11) . . . . ?
C4 C5 C6 C10 170.1(7) . . . . ?
N1 C1 C6 C5 -169.6(6) . . . . ?
C2 C1 C6 C5 5.9(10) . . . . ?
Y1 C1 C6 C5 -117.3(6) . . . . ?
N1 C1 C6 C10 17.7(9) . . . . ?
C2 C1 C6 C10 -166.8(6) . . . . ?
Y1 C1 C6 C10 70.0(6) . . . . ?
C3 C2 C7 C8 -57.7(9) . . . . ?
C1 C2 C7 C8 124.0(8) . . . . ?
C3 C2 C7 C9 64.2(9) . . . . ?
C1 C2 C7 C9 -114.1(8) . . . . ?
C5 C6 C10 C12 -90.6(8) . . . . ?
C1 C6 C10 C12 82.0(8) . . . . ?
C5 C6 C10 C11 30.6(9) . . . . ?
C1 C6 C10 C11 -156.8(6) . . . . ?
C18 Al1 C16 Y1 -160.5(4) . . . . ?
C19 Al1 C16 Y1 70.2(3) . . . . ?
C17 Al1 C16 Y1 -40.2(3) . . . . ?
N1 Y1 C16 Al1 124.0(2) . . . . ?
C21 Y1 C16 Al1 -45.7(5) . . . . ?
C20 Y1 C16 Al1 -120.3(3) . . . . ?
C17 Y1 C16 Al1 30.6(3) . . . . ?
C1 Y1 C16 Al1 136.9(2) . . . . ?
Al2 Y1 C16 Al1 -99.5(2) . . . . ?
C18 Al1 C17 Y1 161.3(3) . . . . ?
C19 Al1 C17 Y1 -70.7(3) . . . . ?
C16 Al1 C17 Y1 41.0(3) . . . . ?
N1 Y1 C17 Al1 -145.0(2) . . . . ?
C21 Y1 C17 Al1 116.7(3) . . . . ?
C20 Y1 C17 Al1 37.2(6) . . . . ?
C16 Y1 C17 Al1 -30.4(2) . . . . ?
C1 Y1 C17 Al1 -114.7(2) . . . . ?
Al2 Y1 C17 Al1 95.8(2) . . . . ?
C23 Al2 C20 Y1 -123.0(4) . . . . ?
C22 Al2 C20 Y1 110.0(3) . . . . ?
C21 Al2 C20 Y1 -8.6(4) . . . . ?
N1 Y1 C20 Al2 -89.1(3) . . . . ?
C21 Y1 C20 Al2 6.9(3) . . . . ?
C17 Y1 C20 Al2 88.6(5) . . . . ?
C16 Y1 C20 Al2 154.0(3) . . . . ?
C1 Y1 C20 Al2 -119.2(3) . . . . ?
Al1 Y1 C20 Al2 114.9(2) . . . . ?
C23 Al2 C21 Y1 121.7(3) . . . . ?
C22 Al2 C21 Y1 -111.3(3) . . . . ?
C20 Al2 C21 Y1 8.7(4) . . . . ?
N1 Y1 C21 Al2 106.7(3) . . . . ?
C20 Y1 C21 Al2 -6.8(3) . . . . ?
C17 Y1 C21 Al2 -155.5(3) . . . . ?
C16 Y1 C21 Al2 -82.7(5) . . . . ?
C1 Y1 C21 Al2 94.1(3) . . . . ?
Al1 Y1 C21 Al2 -114.3(2) . . . . ?

_diffrn_measured_fraction_theta_max 0.998
_diffrn_reflns_theta_full        25.35
_diffrn_measured_fraction_theta_full 0.998
_refine_diff_density_max         2.226
_refine_diff_density_min         -1.666
_refine_diff_density_rms         0.149
####################################################################### 
# 
# 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_shelxl3
_database_code_depnum_ccdc_archive 'CCDC 1430245'
_audit_update_record             
;
2015-10-08 deposited with the CCDC.
2015-12-02 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C23 H50 Al2 Lu N Si'
_chemical_formula_sum            'C23 H50 Al2 Lu N Si'
_chemical_formula_weight         597.66

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Lu Lu -0.4720 5.8584 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Al Al 0.0645 0.0514 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Si Si 0.0817 0.0704 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   'P 21/c'
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_Int_Tables_number      14

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'

_cell_length_a                   15.073(3)
_cell_length_b                   12.4138(19)
_cell_length_c                   17.680(3)
_cell_angle_alpha                90.00
_cell_angle_beta                 112.964(3)
_cell_angle_gamma                90.00
_cell_volume                     3046.0(9)
_cell_formula_units_Z            4
_cell_measurement_temperature    293(2)
_cell_measurement_reflns_used    10098
_cell_measurement_theta_min      3.0
_cell_measurement_theta_max      27.5

_exptl_crystal_description       prism
_exptl_crystal_colour            colorless
_exptl_crystal_size_max          0.70
_exptl_crystal_size_mid          0.60
_exptl_crystal_size_min          0.30
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.303
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1224
_exptl_absorpt_coefficient_mu    3.346
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Jacobson, R. (1998) Private communication'
_exptl_absorpt_correction_T_min  0.183
_exptl_absorpt_correction_T_max  0.364

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      293(2)
_diffrn_radiation_wavelength     0.71075
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Rigaku Saturn'
_diffrn_measurement_method       ω
_diffrn_detector_area_resol_mean 14.63
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            23087
_diffrn_reflns_av_R_equivalents  0.0429
_diffrn_reflns_av_sigmaI/netI    0.0448
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_theta_min         3.02
_diffrn_reflns_theta_max         25.50
_reflns_number_total             5645
_reflns_number_gt                4358
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       CrystalClear
_computing_cell_refinement       CrystalClear
_computing_data_reduction        CrystalStructure
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    ?
_computing_publication_material  ?

_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0329P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         5645
_refine_ls_number_parameters     301
_refine_ls_number_restraints     15
_refine_ls_R_factor_all          0.0435
_refine_ls_R_factor_gt           0.0324
_refine_ls_wR_factor_ref         0.0725
_refine_ls_wR_factor_gt          0.0689
_refine_ls_goodness_of_fit_ref   0.970
_refine_ls_restrained_S_all      0.969
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Lu1 Lu 0.319822(14) 0.206255(14) 0.546239(10) 0.04372(8) Uani 1 1 d . . .
Si1 Si 0.20474(11) 0.40929(11) 0.39822(8) 0.0583(4) Uani 1 1 d . . .
Al1 Al 0.32628(11) -0.02531(11) 0.54012(9) 0.0574(4) Uani 1 1 d . . .
Al2 Al 0.50172(12) 0.32873(13) 0.64922(10) 0.0681(4) Uani 1 1 d . . .
N1 N 0.2139(3) 0.3189(3) 0.4763(2) 0.0449(8) Uani 1 1 d . . .
C1 C 0.1389(3) 0.3016(3) 0.5064(2) 0.0397(9) Uani 1 1 d . . .
C2 C 0.0628(3) 0.2273(3) 0.4681(3) 0.0503(11) Uani 1 1 d . . .
C3 C 0.0008(4) 0.2029(4) 0.5062(3) 0.0626(13) Uani 1 1 d . . .
H3 H -0.0492 0.1544 0.4813 0.075 Uiso 1 1 calc R . .
C4 C 0.0113(4) 0.2484(4) 0.5801(3) 0.0683(14) Uani 1 1 d . . .
H4 H -0.0287 0.2273 0.6064 0.082 Uiso 1 1 calc R . .
C5 C 0.0806(3) 0.3248(4) 0.6147(3) 0.0530(11) Uani 1 1 d . . .
H5 H 0.0851 0.3577 0.6633 0.064 Uiso 1 1 calc R . .
C6 C 0.1443(3) 0.3547(3) 0.5794(2) 0.0423(10) Uani 1 1 d . . .
C7 C 0.0437(3) 0.1805(4) 0.3816(3) 0.0600(14) Uani 1 1 d . . .
H7 H 0.0942 0.2040 0.3633 0.072 Uiso 1 1 calc R . .
C8 C 0.0446(4) 0.0531(4) 0.3891(3) 0.0864(18) Uani 1 1 d . . .
H8A H 0.1021 0.0307 0.4339 0.130 Uiso 1 1 calc R . .
H8B H 0.0429 0.0215 0.3390 0.130 Uiso 1 1 calc R . .
H8C H -0.0108 0.0300 0.3989 0.130 Uiso 1 1 calc R . .
C9 C -0.0529(5) 0.2125(4) 0.3200(4) 0.105(2) Uani 1 1 d . . .
H9A H -0.1020 0.1863 0.3371 0.157 Uiso 1 1 calc R . .
H9B H -0.0622 0.1822 0.2675 0.157 Uiso 1 1 calc R . .
H9C H -0.0566 0.2896 0.3158 0.157 Uiso 1 1 calc R . .
C10 C 0.2105(3) 0.4501(3) 0.6146(2) 0.0507(11) Uani 1 1 d . . .
H10 H 0.2677 0.4407 0.6018 0.061 Uiso 1 1 calc R . .
C11 C 0.2443(4) 0.4625(4) 0.7084(3) 0.0760(16) Uani 1 1 d . . .
H11A H 0.1915 0.4865 0.7215 0.114 Uiso 1 1 calc R . .
H11B H 0.2956 0.5144 0.7277 0.114 Uiso 1 1 calc R . .
H11C H 0.2671 0.3944 0.7343 0.114 Uiso 1 1 calc R . .
C12 C 0.1603(4) 0.5542(4) 0.5735(3) 0.0790(16) Uani 1 1 d . . .
H12A H 0.1377 0.5468 0.5149 0.118 Uiso 1 1 calc R . .
H12B H 0.2050 0.6131 0.5912 0.118 Uiso 1 1 calc R . .
H12C H 0.1067 0.5680 0.5886 0.118 Uiso 1 1 calc R . .
C13 C 0.0820(4) 0.4685(4) 0.3500(3) 0.098(2) Uani 1 1 d . . .
H13A H 0.0433 0.4251 0.3040 0.147 Uiso 1 1 calc R . .
H13B H 0.0865 0.5403 0.3317 0.147 Uiso 1 1 calc R . .
H13C H 0.0529 0.4706 0.3895 0.147 Uiso 1 1 calc R . .
C14 C 0.2932(4) 0.5212(4) 0.4355(3) 0.0805(17) Uani 1 1 d . . .
H14A H 0.2797 0.5627 0.4756 0.121 Uiso 1 1 calc R . .
H14B H 0.2884 0.5666 0.3901 0.121 Uiso 1 1 calc R . .
H14C H 0.3571 0.4920 0.4600 0.121 Uiso 1 1 calc R . .
C15 C 0.2329(4) 0.3411(5) 0.3159(3) 0.0877(19) Uani 1 1 d . . .
H15A H 0.2966 0.3113 0.3392 0.132 Uiso 1 1 calc R . .
H15B H 0.2294 0.3926 0.2743 0.132 Uiso 1 1 calc R . .
H15C H 0.1871 0.2845 0.2919 0.132 Uiso 1 1 calc R . .
C16 C 0.2509(4) 0.0495(4) 0.6014(3) 0.0544(12) Uani 1 1 d D . .
H16A H 0.231(3) 0.1199(17) 0.610(3) 0.082 Uiso 1 1 d D . .
H16B H 0.199(2) 0.000(3) 0.589(3) 0.082 Uiso 1 1 d D . .
H16C H 0.288(3) 0.027(4) 0.6563(12) 0.082 Uiso 1 1 d D . .
C17 C 0.3005(4) 0.0681(4) 0.4365(3) 0.0612(13) Uani 1 1 d D . .
H17A H 0.2384(13) 0.102(3) 0.410(2) 0.092 Uiso 1 1 d D . .
H17B H 0.3487(19) 0.116(2) 0.433(3) 0.092 Uiso 1 1 d D . .
H17C H 0.301(3) 0.0029(17) 0.407(2) 0.092 Uiso 1 1 d D . .
C18 C 0.2774(5) -0.1691(4) 0.5065(5) 0.111(2) Uani 1 1 d . . .
H18A H 0.2945 -0.1921 0.4621 0.167 Uiso 1 1 calc R . .
H18B H 0.2085 -0.1690 0.4887 0.167 Uiso 1 1 calc R . .
H18C H 0.3049 -0.2176 0.5520 0.167 Uiso 1 1 calc R . .
C19 C 0.4645(4) -0.0079(4) 0.6077(3) 0.0861(17) Uani 1 1 d . . .
H19A H 0.4818 -0.0519 0.6560 0.129 Uiso 1 1 calc R . .
H19B H 0.4778 0.0662 0.6235 0.129 Uiso 1 1 calc R . .
H19C H 0.5013 -0.0296 0.5766 0.129 Uiso 1 1 calc R . .
C20 C 0.4050(4) 0.2588(4) 0.6918(3) 0.0655(14) Uani 1 1 d D . .
H20A H 0.3387(14) 0.270(4) 0.683(3) 0.098 Uiso 1 1 d D . .
H20B H 0.411(4) 0.1825(11) 0.699(3) 0.098 Uiso 1 1 d D . .
H20C H 0.439(3) 0.294(3) 0.7435(16) 0.098 Uiso 1 1 d D . .
C21 C 0.4614(4) 0.2790(4) 0.5282(4) 0.0682(14) Uani 1 1 d D . .
C22 C 0.4934(4) 0.4858(4) 0.6530(3) 0.0896(19) Uani 1 1 d . . .
H22A H 0.5262 0.5101 0.7086 0.134 Uiso 1 1 calc R . .
H22B H 0.4269 0.5070 0.6332 0.134 Uiso 1 1 calc R . .
H22C H 0.5230 0.5173 0.6190 0.134 Uiso 1 1 calc R . .
C23 C 0.6270(4) 0.2656(5) 0.7131(4) 0.111(2) Uani 1 1 d . . .
H23A H 0.6765 0.3184 0.7213 0.166 Uiso 1 1 calc R . .
H23B H 0.6378 0.2049 0.6841 0.166 Uiso 1 1 calc R . .
H23C H 0.6286 0.2424 0.7654 0.166 Uiso 1 1 calc R . .
H21A H 0.409(4) 0.305(5) 0.481(3) 0.166 Uiso 1 1 d D . .
H21B H 0.482(5) 0.210(3) 0.518(4) 0.166 Uiso 1 1 d D . .
H21C H 0.517(3) 0.312(6) 0.525(4) 0.166 Uiso 1 1 d D . .


_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
Lu1 N1 2.120(3) . ?
Lu1 C21 2.450(6) . ?
Lu1 C20 2.474(5) . ?
Lu1 C17 2.520(4) . ?
Lu1 C16 2.570(5) . ?
Lu1 C1 2.799(4) . ?
Lu1 Al1 2.8798(14) . ?
Lu1 Al2 3.0411(16) . ?
Lu1 H16A 2.32(5) . ?
Lu1 H17B 2.48(4) . ?
Lu1 H20A 2.45(5) . ?
Lu1 H20B 2.53(5) . ?
Lu1 H21A 2.42(8) . ?
Si1 N1 1.742(3) . ?
Si1 C14 1.858(5) . ?
Si1 C13 1.860(5) . ?
Si1 C15 1.870(5) . ?
Al1 C18 1.934(6) . ?
Al1 C19 1.968(5) . ?
Al1 C16 2.070(5) . ?
Al1 C17 2.073(5) . ?
Al2 C23 1.948(6) . ?
Al2 C22 1.957(5) . ?
Al2 C20 2.075(6) . ?
Al2 C21 2.077(6) . ?
N1 C1 1.441(5) . ?
C1 C2 1.421(6) . ?
C1 C6 1.423(5) . ?
C2 C3 1.383(6) . ?
C2 C7 1.554(6) . ?
C3 C4 1.374(7) . ?
C3 H3 0.9300 . ?
C4 C5 1.366(6) . ?
C4 H4 0.9300 . ?
C5 C6 1.385(6) . ?
C5 H5 0.9300 . ?
C6 C10 1.518(6) . ?
C7 C9 1.492(7) . ?
C7 C8 1.587(6) . ?
C7 H7 0.9800 . ?
C8 H8A 0.9600 . ?
C8 H8B 0.9600 . ?
C8 H8C 0.9600 . ?
C9 H9A 0.9600 . ?
C9 H9B 0.9600 . ?
C9 H9C 0.9600 . ?
C10 C12 1.530(6) . ?
C10 C11 1.540(5) . ?
C10 H10 0.9800 . ?
C11 H11A 0.9600 . ?
C11 H11B 0.9600 . ?
C11 H11C 0.9600 . ?
C12 H12A 0.9600 . ?
C12 H12B 0.9600 . ?
C12 H12C 0.9600 . ?
C13 H13A 0.9600 . ?
C13 H13B 0.9600 . ?
C13 H13C 0.9600 . ?
C14 H14A 0.9600 . ?
C14 H14B 0.9600 . ?
C14 H14C 0.9600 . ?
C15 H15A 0.9600 . ?
C15 H15B 0.9600 . ?
C15 H15C 0.9600 . ?
C16 H16A 0.956(10) . ?
C16 H16B 0.951(10) . ?
C16 H16C 0.955(10) . ?
C17 H17A 0.967(10) . ?
C17 H17B 0.963(10) . ?
C17 H17C 0.962(10) . ?
C18 H18A 0.9600 . ?
C18 H18B 0.9600 . ?
C18 H18C 0.9600 . ?
C19 H19A 0.9600 . ?
C19 H19B 0.9600 . ?
C19 H19C 0.9600 . ?
C20 H20A 0.959(10) . ?
C20 H20B 0.956(10) . ?
C20 H20C 0.958(10) . ?
C21 H21A 0.954(10) . ?
C21 H21B 0.957(10) . ?
C21 H21C 0.955(10) . ?
C22 H22A 0.9600 . ?
C22 H22B 0.9600 . ?
C22 H22C 0.9600 . ?
C23 H23A 0.9600 . ?
C23 H23B 0.9600 . ?
C23 H23C 0.9600 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
N1 Lu1 C21 100.17(16) . . ?
N1 Lu1 C20 113.56(16) . . ?
C21 Lu1 C20 85.04(19) . . ?
N1 Lu1 C17 99.53(14) . . ?
C21 Lu1 C17 89.76(18) . . ?
C20 Lu1 C17 146.91(17) . . ?
N1 Lu1 C16 113.39(15) . . ?
C21 Lu1 C16 146.11(18) . . ?
C20 Lu1 C16 85.85(17) . . ?
C17 Lu1 C16 80.45(16) . . ?
N1 Lu1 C1 30.25(11) . . ?
C21 Lu1 C1 128.58(16) . . ?
C20 Lu1 C1 102.08(16) . . ?
C17 Lu1 C1 106.58(14) . . ?
C16 Lu1 C1 85.26(14) . . ?
N1 Lu1 Al1 131.73(10) . . ?
C21 Lu1 Al1 108.63(14) . . ?
C20 Lu1 Al1 106.92(13) . . ?
C17 Lu1 Al1 44.52(11) . . ?
C16 Lu1 Al1 44.20(11) . . ?
C1 Lu1 Al1 117.17(8) . . ?
N1 Lu1 Al2 108.49(10) . . ?
C21 Lu1 Al2 42.78(14) . . ?
C20 Lu1 Al2 42.66(14) . . ?
C17 Lu1 Al2 127.43(12) . . ?
C16 Lu1 Al2 123.70(12) . . ?
C1 Lu1 Al2 120.10(9) . . ?
Al1 Lu1 Al2 119.06(4) . . ?
N1 Lu1 H16A 98.3(8) . . ?
C21 Lu1 H16A 158.3(11) . . ?
C20 Lu1 H16A 77.1(10) . . ?
C17 Lu1 H16A 98.4(7) . . ?
C16 Lu1 H16A 21.8(3) . . ?
C1 Lu1 H16A 68.2(8) . . ?
Al1 Lu1 H16A 65.9(3) . . ?
Al2 Lu1 H16A 119.6(11) . . ?
N1 Lu1 H17B 98.9(9) . . ?
C21 Lu1 H17B 67.9(3) . . ?
C20 Lu1 H17B 141.0(8) . . ?
C17 Lu1 H17B 22.2(2) . . ?
C16 Lu1 H17B 101.0(5) . . ?
C1 Lu1 H17B 116.6(8) . . ?
Al1 Lu1 H17B 60.0(6) . . ?
Al2 Lu1 H17B 107.9(4) . . ?
H16A Lu1 H17B 120.2(7) . . ?
N1 Lu1 H20A 97.5(9) . . ?
C21 Lu1 H20A 103.6(8) . . ?
C20 Lu1 H20A 22.5(3) . . ?
C17 Lu1 H20A 156.0(12) . . ?
C16 Lu1 H20A 77.4(11) . . ?
C1 Lu1 H20A 80.6(5) . . ?
Al1 Lu1 H20A 111.7(12) . . ?
Al2 Lu1 H20A 61.1(7) . . ?
H16A Lu1 H20A 62.4(13) . . ?
H17B Lu1 H20A 162.6(10) . . ?
N1 Lu1 H20B 132.2(8) . . ?
C21 Lu1 H20B 92.7(11) . . ?
C20 Lu1 H20B 22.0(4) . . ?
C17 Lu1 H20B 126.6(5) . . ?
C16 Lu1 H20B 68.7(8) . . ?
C1 Lu1 H20B 112.7(11) . . ?
Al1 Lu1 H20B 84.9(4) . . ?
Al2 Lu1 H20B 55.4(9) . . ?
H16A Lu1 H20B 66.3(16) . . ?
H17B Lu1 H20B 128.4(12) . . ?
H20A Lu1 H20B 34.7(12) . . ?
N1 Lu1 H21A 79.6(8) . . ?
C21 Lu1 H21A 22.6(4) . . ?
C20 Lu1 H21A 101.7(12) . . ?
C17 Lu1 H21A 84.1(16) . . ?
C16 Lu1 H21A 161.2(16) . . ?
C1 Lu1 H21A 109.5(9) . . ?
Al1 Lu1 H21A 117.1(16) . . ?
Al2 Lu1 H21A 59.5(11) . . ?
H16A Lu1 H21A 177.0(16) . . ?
H17B Lu1 H21A 62.4(17) . . ?
H20A Lu1 H21A 115.6(18) . . ?
H20B Lu1 H21A 113.6(13) . . ?
N1 Si1 C14 112.1(2) . . ?
N1 Si1 C13 112.0(2) . . ?
C14 Si1 C13 108.3(3) . . ?
N1 Si1 C15 110.7(2) . . ?
C14 Si1 C15 105.4(3) . . ?
C13 Si1 C15 108.0(3) . . ?
C18 Al1 C19 118.3(3) . . ?
C18 Al1 C16 110.7(2) . . ?
C19 Al1 C16 107.5(2) . . ?
C18 Al1 C17 109.1(3) . . ?
C19 Al1 C17 105.3(2) . . ?
C16 Al1 C17 105.0(2) . . ?
C18 Al1 Lu1 156.7(2) . . ?
C19 Al1 Lu1 84.88(17) . . ?
C16 Al1 Lu1 59.93(13) . . ?
C17 Al1 Lu1 58.50(13) . . ?
C23 Al2 C22 116.2(3) . . ?
C23 Al2 C20 106.3(3) . . ?
C22 Al2 C20 109.9(3) . . ?
C23 Al2 C21 107.8(3) . . ?
C22 Al2 C21 109.5(2) . . ?
C20 Al2 C21 106.6(2) . . ?
C23 Al2 Lu1 126.2(2) . . ?
C22 Al2 Lu1 117.63(19) . . ?
C20 Al2 Lu1 53.93(15) . . ?
C21 Al2 Lu1 53.24(16) . . ?
C1 N1 Si1 123.9(3) . . ?
C1 N1 Lu1 101.9(2) . . ?
Si1 N1 Lu1 134.1(2) . . ?
C2 C1 C6 118.9(4) . . ?
C2 C1 N1 121.6(4) . . ?
C6 C1 N1 119.4(4) . . ?
C2 C1 Lu1 111.8(3) . . ?
C6 C1 Lu1 105.2(3) . . ?
N1 C1 Lu1 47.82(18) . . ?
C3 C2 C1 118.9(4) . . ?
C3 C2 C7 119.8(4) . . ?
C1 C2 C7 121.1(4) . . ?
C4 C3 C2 121.6(5) . . ?
C4 C3 H3 119.2 . . ?
C2 C3 H3 119.2 . . ?
C5 C4 C3 119.7(5) . . ?
C5 C4 H4 120.2 . . ?
C3 C4 H4 120.2 . . ?
C4 C5 C6 121.9(4) . . ?
C4 C5 H5 119.1 . . ?
C6 C5 H5 119.1 . . ?
C5 C6 C1 118.7(4) . . ?
C5 C6 C10 119.0(4) . . ?
C1 C6 C10 121.9(4) . . ?
C9 C7 C2 111.8(4) . . ?
C9 C7 C8 107.5(4) . . ?
C2 C7 C8 107.3(4) . . ?
C9 C7 H7 110.1 . . ?
C2 C7 H7 110.1 . . ?
C8 C7 H7 110.1 . . ?
C7 C8 H8A 109.5 . . ?
C7 C8 H8B 109.5 . . ?
H8A C8 H8B 109.5 . . ?
C7 C8 H8C 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
C7 C9 H9A 109.5 . . ?
C7 C9 H9B 109.5 . . ?
H9A C9 H9B 109.5 . . ?
C7 C9 H9C 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
C6 C10 C12 109.9(4) . . ?
C6 C10 C11 114.1(4) . . ?
C12 C10 C11 108.8(4) . . ?
C6 C10 H10 108.0 . . ?
C12 C10 H10 108.0 . . ?
C11 C10 H10 108.0 . . ?
C10 C11 H11A 109.5 . . ?
C10 C11 H11B 109.5 . . ?
H11A C11 H11B 109.5 . . ?
C10 C11 H11C 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
C10 C12 H12A 109.5 . . ?
C10 C12 H12B 109.5 . . ?
H12A C12 H12B 109.5 . . ?
C10 C12 H12C 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
Si1 C13 H13A 109.5 . . ?
Si1 C13 H13B 109.5 . . ?
H13A C13 H13B 109.5 . . ?
Si1 C13 H13C 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
Si1 C14 H14A 109.5 . . ?
Si1 C14 H14B 109.5 . . ?
H14A C14 H14B 109.5 . . ?
Si1 C14 H14C 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
Si1 C15 H15A 109.5 . . ?
Si1 C15 H15B 109.5 . . ?
H15A C15 H15B 109.5 . . ?
Si1 C15 H15C 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
Al1 C16 Lu1 75.87(15) . . ?
Al1 C16 H16A 140(3) . . ?
Lu1 C16 H16A 64(3) . . ?
Al1 C16 H16B 99(3) . . ?
Lu1 C16 H16B 145(3) . . ?
H16A C16 H16B 110(4) . . ?
Al1 C16 H16C 100(3) . . ?
Lu1 C16 H16C 116(3) . . ?
H16A C16 H16C 101(4) . . ?
H16B C16 H16C 99(4) . . ?
Al1 C17 Lu1 76.97(14) . . ?
Al1 C17 H17A 119(3) . . ?
Lu1 C17 H17A 83(2) . . ?
Al1 C17 H17B 121(3) . . ?
Lu1 C17 H17B 77(2) . . ?
H17A C17 H17B 107.8(14) . . ?
Al1 C17 H17C 88(2) . . ?
Lu1 C17 H17C 165(2) . . ?
H17A C17 H17C 108.2(14) . . ?
H17B C17 H17C 108.7(14) . . ?
Al1 C18 H18A 109.5 . . ?
Al1 C18 H18B 109.5 . . ?
H18A C18 H18B 109.5 . . ?
Al1 C18 H18C 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
Al1 C19 H19A 109.5 . . ?
Al1 C19 H19B 109.5 . . ?
H19A C19 H19B 109.5 . . ?
Al1 C19 H19C 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
Al2 C20 Lu1 83.41(18) . . ?
Al2 C20 H20A 135(3) . . ?
Lu1 C20 H20A 77(3) . . ?
Al2 C20 H20B 115(3) . . ?
Lu1 C20 H20B 82(3) . . ?
H20A C20 H20B 102(4) . . ?
Al2 C20 H20C 88(3) . . ?
Lu1 C20 H20C 168(3) . . ?
H20A C20 H20C 103(5) . . ?
H20B C20 H20C 109(4) . . ?
Al2 C21 Lu1 84.0(2) . . ?
Al2 C21 H21A 128(5) . . ?
Lu1 C21 H21A 77(5) . . ?
Al2 C21 H21B 119(5) . . ?
Lu1 C21 H21B 94(5) . . ?
H21A C21 H21B 111(6) . . ?
Al2 C21 H21C 91(4) . . ?
Lu1 C21 H21C 175(5) . . ?
H21A C21 H21C 104(6) . . ?
H21B C21 H21C 91(6) . . ?
Al2 C22 H22A 109.5 . . ?
Al2 C22 H22B 109.5 . . ?
H22A C22 H22B 109.5 . . ?
Al2 C22 H22C 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
Al2 C23 H23A 109.5 . . ?
Al2 C23 H23B 109.5 . . ?
H23A C23 H23B 109.5 . . ?
Al2 C23 H23C 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 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
N1 Lu1 Al1 C18 -9.2(6) . . . . ?
C21 Lu1 Al1 C18 -132.6(6) . . . . ?
C20 Lu1 Al1 C18 137.0(6) . . . . ?
C17 Lu1 Al1 C18 -63.0(6) . . . . ?
C16 Lu1 Al1 C18 71.9(6) . . . . ?
C1 Lu1 Al1 C18 23.3(6) . . . . ?
Al2 Lu1 Al1 C18 -178.3(5) . . . . ?
N1 Lu1 Al1 C19 165.3(2) . . . . ?
C21 Lu1 Al1 C19 41.9(2) . . . . ?
C20 Lu1 Al1 C19 -48.5(2) . . . . ?
C17 Lu1 Al1 C19 111.5(2) . . . . ?
C16 Lu1 Al1 C19 -113.6(2) . . . . ?
C1 Lu1 Al1 C19 -162.19(18) . . . . ?
Al2 Lu1 Al1 C19 -3.75(17) . . . . ?
N1 Lu1 Al1 C16 -81.1(2) . . . . ?
C21 Lu1 Al1 C16 155.5(2) . . . . ?
C20 Lu1 Al1 C16 65.1(2) . . . . ?
C17 Lu1 Al1 C16 -134.9(2) . . . . ?
C1 Lu1 Al1 C16 -48.62(19) . . . . ?
Al2 Lu1 Al1 C16 109.82(17) . . . . ?
N1 Lu1 Al1 C17 53.8(2) . . . . ?
C21 Lu1 Al1 C17 -69.6(2) . . . . ?
C20 Lu1 Al1 C17 -160.0(2) . . . . ?
C16 Lu1 Al1 C17 134.9(2) . . . . ?
C1 Lu1 Al1 C17 86.31(19) . . . . ?
Al2 Lu1 Al1 C17 -115.25(17) . . . . ?
N1 Lu1 Al2 C23 -170.8(3) . . . . ?
C21 Lu1 Al2 C23 -85.8(4) . . . . ?
C20 Lu1 Al2 C23 84.2(3) . . . . ?
C17 Lu1 Al2 C23 -52.4(3) . . . . ?
C16 Lu1 Al2 C23 52.6(3) . . . . ?
C1 Lu1 Al2 C23 158.4(3) . . . . ?
Al1 Lu1 Al2 C23 0.6(3) . . . . ?
N1 Lu1 Al2 C22 9.6(2) . . . . ?
C21 Lu1 Al2 C22 94.6(3) . . . . ?
C20 Lu1 Al2 C22 -95.4(3) . . . . ?
C17 Lu1 Al2 C22 128.0(2) . . . . ?
C16 Lu1 Al2 C22 -127.0(2) . . . . ?
C1 Lu1 Al2 C22 -21.2(2) . . . . ?
Al1 Lu1 Al2 C22 -179.0(2) . . . . ?
N1 Lu1 Al2 C20 105.0(2) . . . . ?
C21 Lu1 Al2 C20 -170.0(3) . . . . ?
C17 Lu1 Al2 C20 -136.6(2) . . . . ?
C16 Lu1 Al2 C20 -31.5(2) . . . . ?
C1 Lu1 Al2 C20 74.2(2) . . . . ?
Al1 Lu1 Al2 C20 -83.6(2) . . . . ?
N1 Lu1 Al2 C21 -85.0(2) . . . . ?
C20 Lu1 Al2 C21 170.0(3) . . . . ?
C17 Lu1 Al2 C21 33.4(2) . . . . ?
C16 Lu1 Al2 C21 138.4(2) . . . . ?
C1 Lu1 Al2 C21 -115.8(2) . . . . ?
Al1 Lu1 Al2 C21 86.4(2) . . . . ?
C14 Si1 N1 C1 115.3(4) . . . . ?
C13 Si1 N1 C1 -6.8(4) . . . . ?
C15 Si1 N1 C1 -127.4(4) . . . . ?
C14 Si1 N1 Lu1 -68.1(3) . . . . ?
C13 Si1 N1 Lu1 169.9(3) . . . . ?
C15 Si1 N1 Lu1 49.2(3) . . . . ?
C21 Lu1 N1 C1 -161.9(3) . . . . ?
C20 Lu1 N1 C1 -72.9(3) . . . . ?
C17 Lu1 N1 C1 106.7(2) . . . . ?
C16 Lu1 N1 C1 23.0(3) . . . . ?
Al1 Lu1 N1 C1 71.6(3) . . . . ?
Al2 Lu1 N1 C1 -118.4(2) . . . . ?
C21 Lu1 N1 Si1 21.0(3) . . . . ?
C20 Lu1 N1 Si1 110.0(3) . . . . ?
C17 Lu1 N1 Si1 -70.5(3) . . . . ?
C16 Lu1 N1 Si1 -154.1(2) . . . . ?
C1 Lu1 N1 Si1 -177.1(4) . . . . ?
Al1 Lu1 N1 Si1 -105.5(3) . . . . ?
Al2 Lu1 N1 Si1 64.4(3) . . . . ?
Si1 N1 C1 C2 85.8(4) . . . . ?
Lu1 N1 C1 C2 -91.7(4) . . . . ?
Si1 N1 C1 C6 -98.4(4) . . . . ?
Lu1 N1 C1 C6 84.1(3) . . . . ?
Si1 N1 C1 Lu1 177.5(4) . . . . ?
N1 Lu1 C1 C2 113.6(4) . . . . ?
C21 Lu1 C1 C2 136.6(3) . . . . ?
C20 Lu1 C1 C2 -130.0(3) . . . . ?
C17 Lu1 C1 C2 33.2(3) . . . . ?
C16 Lu1 C1 C2 -45.3(3) . . . . ?
Al1 Lu1 C1 C2 -13.7(3) . . . . ?
Al2 Lu1 C1 C2 -171.9(3) . . . . ?
N1 Lu1 C1 C6 -116.1(4) . . . . ?
C21 Lu1 C1 C6 -93.0(3) . . . . ?
C20 Lu1 C1 C6 0.3(3) . . . . ?
C17 Lu1 C1 C6 163.6(3) . . . . ?
C16 Lu1 C1 C6 85.0(3) . . . . ?
Al1 Lu1 C1 C6 116.7(2) . . . . ?
Al2 Lu1 C1 C6 -41.5(3) . . . . ?
C21 Lu1 C1 N1 23.1(3) . . . . ?
C20 Lu1 C1 N1 116.4(3) . . . . ?
C17 Lu1 C1 N1 -80.3(3) . . . . ?
C16 Lu1 C1 N1 -158.9(3) . . . . ?
Al1 Lu1 C1 N1 -127.2(2) . . . . ?
Al2 Lu1 C1 N1 74.6(2) . . . . ?
C6 C1 C2 C3 -4.8(6) . . . . ?
N1 C1 C2 C3 171.0(4) . . . . ?
Lu1 C1 C2 C3 118.1(4) . . . . ?
C6 C1 C2 C7 170.4(4) . . . . ?
N1 C1 C2 C7 -13.8(6) . . . . ?
Lu1 C1 C2 C7 -66.7(4) . . . . ?
C1 C2 C3 C4 -0.2(7) . . . . ?
C7 C2 C3 C4 -175.4(4) . . . . ?
C2 C3 C4 C5 4.2(8) . . . . ?
C3 C4 C5 C6 -3.1(8) . . . . ?
C4 C5 C6 C1 -2.0(7) . . . . ?
C4 C5 C6 C10 171.9(4) . . . . ?
C2 C1 C6 C5 5.8(6) . . . . ?
N1 C1 C6 C5 -170.0(4) . . . . ?
Lu1 C1 C6 C5 -120.2(4) . . . . ?
C2 C1 C6 C10 -167.9(4) . . . . ?
N1 C1 C6 C10 16.3(5) . . . . ?
Lu1 C1 C6 C10 66.1(4) . . . . ?
C3 C2 C7 C9 58.2(6) . . . . ?
C1 C2 C7 C9 -116.9(5) . . . . ?
C3 C2 C7 C8 -59.3(5) . . . . ?
C1 C2 C7 C8 125.5(4) . . . . ?
C5 C6 C10 C12 -88.2(5) . . . . ?
C1 C6 C10 C12 85.5(5) . . . . ?
C5 C6 C10 C11 34.3(6) . . . . ?
C1 C6 C10 C11 -152.1(4) . . . . ?
C18 Al1 C16 Lu1 -156.3(3) . . . . ?
C19 Al1 C16 Lu1 73.1(2) . . . . ?
C17 Al1 C16 Lu1 -38.68(19) . . . . ?
N1 Lu1 C16 Al1 126.54(14) . . . . ?
C21 Lu1 C16 Al1 -44.8(4) . . . . ?
C20 Lu1 C16 Al1 -119.55(19) . . . . ?
C17 Lu1 C16 Al1 30.22(16) . . . . ?
C1 Lu1 C16 Al1 137.94(15) . . . . ?
Al2 Lu1 C16 Al1 -98.73(14) . . . . ?
C18 Al1 C17 Lu1 158.1(2) . . . . ?
C19 Al1 C17 Lu1 -73.9(2) . . . . ?
C16 Al1 C17 Lu1 39.4(2) . . . . ?
N1 Lu1 C17 Al1 -142.36(15) . . . . ?
C21 Lu1 C17 Al1 117.37(18) . . . . ?
C20 Lu1 C17 Al1 36.9(4) . . . . ?
C16 Lu1 C17 Al1 -30.03(16) . . . . ?
C1 Lu1 C17 Al1 -112.13(14) . . . . ?
Al2 Lu1 C17 Al1 95.40(15) . . . . ?
C23 Al2 C20 Lu1 -123.2(2) . . . . ?
C22 Al2 C20 Lu1 110.2(2) . . . . ?
C21 Al2 C20 Lu1 -8.3(2) . . . . ?
N1 Lu1 C20 Al2 -92.14(19) . . . . ?
C21 Lu1 C20 Al2 6.80(19) . . . . ?
C17 Lu1 C20 Al2 88.7(3) . . . . ?
C16 Lu1 C20 Al2 154.12(19) . . . . ?
C1 Lu1 C20 Al2 -121.63(16) . . . . ?
Al1 Lu1 C20 Al2 114.78(14) . . . . ?
C23 Al2 C21 Lu1 122.2(2) . . . . ?
C22 Al2 C21 Lu1 -110.5(2) . . . . ?
C20 Al2 C21 Lu1 8.4(2) . . . . ?
N1 Lu1 C21 Al2 106.30(17) . . . . ?
C20 Lu1 C21 Al2 -6.79(19) . . . . ?
C17 Lu1 C21 Al2 -154.06(18) . . . . ?
C16 Lu1 C21 Al2 -81.7(3) . . . . ?
C1 Lu1 C21 Al2 94.7(2) . . . . ?
Al1 Lu1 C21 Al2 -112.99(14) . . . . ?

_diffrn_measured_fraction_theta_max 0.996
_diffrn_reflns_theta_full        25.50
_diffrn_measured_fraction_theta_full 0.996
_refine_diff_density_max         1.417
_refine_diff_density_min         -0.851
_refine_diff_density_rms         0.089
########################


