# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2014

#######################################################################
#
#                 Cambridge Crystallographic Data Centre
#                                CCDC 
# 
#######################################################################
# 
#  This CIF contains data from an original supplementary publication
#  deposited with the CCDC, and may include chemical, crystal,
#  experimental, refinement, atomic coordinates,
#  anisotropic displacement parameters and molecular geometry data,
#  as required by the journal to which it was submitted.
#
#  This CIF is provided on the understanding that it is used for bona
#  fide research purposes only. It may contain copyright material
#  of the CCDC or of third parties, and may not be copied or further
#  disseminated in any form, whether machine-readable or not,
#  except for the purpose of generating routine backup copies
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# 
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#  data retrieval see:
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#
#  Bona fide researchers may freely download Mercury and enCIFer
#  from this site to visualise CIF-encoded structures and 
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data_sad

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          411
_chemical_formula_moiety         ?
_chemical_formula_sum            'C22 H31 N Si'
_chemical_formula_weight         337.57

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Si Si 0.2541 0.3302 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           Orthorhombic
_symmetry_space_group_name_H-M   P2(1)2(1)2(1)

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

_cell_length_a                   10.0207(2)
_cell_length_b                   13.4721(2)
_cell_length_c                   16.8224(3)
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_volume                     2271.02(7)
_cell_formula_units_Z            4
_cell_measurement_temperature    153(2)
_cell_measurement_reflns_used    9941
_cell_measurement_theta_min      4.20
_cell_measurement_theta_max      74.56

_exptl_crystal_description       plate
_exptl_crystal_colour            colourless
_exptl_crystal_size_max          0.34
_exptl_crystal_size_mid          0.06
_exptl_crystal_size_min          0.01
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    0.987
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             736
_exptl_absorpt_coefficient_mu    0.906
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_correction_T_min  0.7380
_exptl_absorpt_correction_T_max  0.9288
_exptl_absorpt_process_details   SADABS

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      153(2)
_diffrn_radiation_wavelength     1.54178
_diffrn_radiation_type           CuK\a
_diffrn_radiation_source         microsource
_diffrn_radiation_monochromator  'Venture Mo multilayer optic'
_diffrn_measurement_device_type  'Photon 100 CMOS-detector'
_diffrn_measurement_method       'omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            16167
_diffrn_reflns_av_R_equivalents  0.0322
_diffrn_reflns_av_sigmaI/netI    0.0280
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_theta_min         5.26
_diffrn_reflns_theta_max         74.55
_reflns_number_total             4542
_reflns_number_gt                4135
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'Bruker SMART'
_computing_cell_refinement       'Bruker SAINT+'
_computing_data_reduction        'Bruker SHELXTL'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_molecular_graphics    'Diamond 3.2i (Crystal Impact, 2012)'
_computing_publication_material  'Bruker SHELXTL'

_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)+(0.0450P)²+0.4175P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.01(3)
_refine_ls_number_reflns         4542
_refine_ls_number_parameters     340
_refine_ls_number_restraints     318
_refine_ls_R_factor_all          0.0447
_refine_ls_R_factor_gt           0.0390
_refine_ls_wR_factor_ref         0.0944
_refine_ls_wR_factor_gt          0.0911
_refine_ls_goodness_of_fit_ref   1.059
_refine_ls_restrained_S_all      1.111
_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
Si1 Si 0.76677(4) -0.01714(3) 1.00580(3) 0.02981(12) Uani 1 1 d . . .
C11 C 0.6650(2) -0.05699(15) 0.92311(11) 0.0357(4) Uani 1 1 d . . .
C12 C 0.5956(2) -0.08726(15) 0.87042(12) 0.0384(5) Uani 1 1 d D A .
C121 C 0.5102(2) -0.12417(19) 0.80549(14) 0.0516(6) Uani 1 1 d D . .
C122 C 0.4870(17) -0.0350(11) 0.7477(8) 0.101(5) Uani 0.45 1 d PDU A 1
H12A H 0.4524 0.0205 0.7770 0.121 Uiso 0.45 1 calc PR A 1
H12B H 0.4243 -0.0539 0.7073 0.121 Uiso 0.45 1 calc PR A 1
H12C H 0.5701 -0.0167 0.7234 0.121 Uiso 0.45 1 calc PR A 1
C123 C 0.3808(11) -0.1574(11) 0.8393(8) 0.079(3) Uani 0.45 1 d PDU A 1
H12D H 0.3951 -0.2143 0.8725 0.094 Uiso 0.45 1 calc PR A 1
H12E H 0.3210 -0.1746 0.7968 0.094 Uiso 0.45 1 calc PR A 1
H12F H 0.3426 -0.1047 0.8702 0.094 Uiso 0.45 1 calc PR A 1
C124 C 0.5880(18) -0.2051(15) 0.7644(11) 0.142(9) Uani 0.45 1 d PDU A 1
H12G H 0.6707 -0.1786 0.7450 0.170 Uiso 0.45 1 calc PR A 1
H12H H 0.5368 -0.2305 0.7206 0.170 Uiso 0.45 1 calc PR A 1
H12I H 0.6059 -0.2577 0.8013 0.170 Uiso 0.45 1 calc PR A 1
C12A C 0.410(2) -0.2001(19) 0.8405(14) 0.139(12) Uani 0.32 1 d PDU A 2
H12J H 0.4579 -0.2545 0.8638 0.166 Uiso 0.32 1 calc PR A 2
H12K H 0.3530 -0.2245 0.7990 0.166 Uiso 0.32 1 calc PR A 2
H12L H 0.3566 -0.1684 0.8806 0.166 Uiso 0.32 1 calc PR A 2
C12B C 0.590(2) -0.173(2) 0.7406(12) 0.117(11) Uani 0.32 1 d PDU A 2
H12M H 0.6593 -0.1287 0.7231 0.140 Uiso 0.32 1 calc PR A 2
H12N H 0.5330 -0.1888 0.6967 0.140 Uiso 0.32 1 calc PR A 2
H12O H 0.6301 -0.2329 0.7606 0.140 Uiso 0.32 1 calc PR A 2
C12C C 0.440(2) -0.0348(13) 0.7693(11) 0.088(7) Uani 0.32 1 d PDU A 2
H12P H 0.3918 -0.0002 0.8099 0.106 Uiso 0.32 1 calc PR A 2
H12Q H 0.3799 -0.0566 0.7287 0.106 Uiso 0.32 1 calc PR A 2
H12R H 0.5057 0.0089 0.7465 0.106 Uiso 0.32 1 calc PR A 2
C12D C 0.499(2) -0.2436(8) 0.8128(10) 0.076(5) Uani 0.23 1 d PDU A 3
H12S H 0.5856 -0.2726 0.8037 0.091 Uiso 0.23 1 calc PR A 3
H12T H 0.4375 -0.2681 0.7740 0.091 Uiso 0.23 1 calc PR A 3
H12U H 0.4689 -0.2609 0.8651 0.091 Uiso 0.23 1 calc PR A 3
C12E C 0.575(2) -0.1070(16) 0.7264(7) 0.078(6) Uani 0.23 1 d PDU A 3
H12V H 0.5946 -0.0377 0.7202 0.093 Uiso 0.23 1 calc PR A 3
H12W H 0.5163 -0.1282 0.6847 0.093 Uiso 0.23 1 calc PR A 3
H12X H 0.6568 -0.1443 0.7236 0.093 Uiso 0.23 1 calc PR A 3
C12F C 0.3705(14) -0.086(2) 0.8102(12) 0.099(6) Uani 0.23 1 d PDU A 3
H12Y H 0.3284 -0.1115 0.8572 0.118 Uiso 0.23 1 calc PR A 3
H12Z H 0.3216 -0.1076 0.7642 0.118 Uiso 0.23 1 calc PR A 3
H121 H 0.3717 -0.0150 0.8120 0.118 Uiso 0.23 1 calc PR A 3
C21 C 0.80499(16) 0.11408(13) 1.00292(12) 0.0329(4) Uani 1 1 d . . .
C22 C 0.81386(16) 0.20296(12) 1.00414(12) 0.0327(4) Uani 1 1 d D B .
C221 C 0.81867(18) 0.31255(13) 1.00527(15) 0.0426(5) Uani 1 1 d D . .
C222 C 0.7077(10) 0.3479(10) 1.0645(6) 0.028(3) Uani 0.45 1 d PDU B 4
H22A H 0.6220 0.3263 1.0457 0.034 Uiso 0.45 1 calc PR B 4
H22B H 0.7089 0.4190 1.0680 0.034 Uiso 0.45 1 calc PR B 4
H22C H 0.7242 0.3200 1.1161 0.034 Uiso 0.45 1 calc PR B 4
C223 C 0.7861(10) 0.3546(9) 0.9234(6) 0.065(3) Uani 0.45 1 d PDU B 4
H22D H 0.8528 0.3336 0.8860 0.077 Uiso 0.45 1 calc PR B 4
H22E H 0.7848 0.4258 0.9260 0.077 Uiso 0.45 1 calc PR B 4
H22F H 0.7003 0.3309 0.9067 0.077 Uiso 0.45 1 calc PR B 4
C224 C 0.9519(7) 0.3455(6) 1.0334(5) 0.065(3) Uani 0.45 1 d PDU B 4
H22G H 0.9707 0.3155 1.0840 0.077 Uiso 0.45 1 calc PR B 4
H22H H 0.9524 0.4164 1.0389 0.077 Uiso 0.45 1 calc PR B 4
H22I H 1.0187 0.3259 0.9957 0.077 Uiso 0.45 1 calc PR B 4
C22A C 0.9640(6) 0.3516(5) 0.9977(5) 0.0416(17) Uani 0.35 1 d PDU B 5
H22J H 1.0166 0.3265 1.0410 0.050 Uiso 0.35 1 calc PR B 5
H22K H 0.9637 0.4228 0.9991 0.050 Uiso 0.35 1 calc PR B 5
H22L H 1.0015 0.3295 0.9482 0.050 Uiso 0.35 1 calc PR B 5
C22B C 0.7471(9) 0.3454(7) 0.9235(4) 0.0314(18) Uani 0.35 1 d PDU B 5
H22M H 0.7941 0.3170 0.8793 0.038 Uiso 0.35 1 calc PR B 5
H22N H 0.7480 0.4164 0.9192 0.038 Uiso 0.35 1 calc PR B 5
H22O H 0.6565 0.3222 0.9234 0.038 Uiso 0.35 1 calc PR B 5
C22C C 0.7458(12) 0.3524(15) 1.0740(9) 0.039(3) Uani 0.35 1 d PDU B 5
H22P H 0.6545 0.3311 1.0717 0.047 Uiso 0.35 1 calc PR B 5
H22Q H 0.7494 0.4236 1.0730 0.047 Uiso 0.35 1 calc PR B 5
H22R H 0.7860 0.3286 1.1222 0.047 Uiso 0.35 1 calc PR B 5
C22D C 0.9386(11) 0.3361(8) 1.0742(6) 0.039(3) Uani 0.20 1 d PDU B 6
H22S H 0.9106 0.3110 1.1249 0.047 Uiso 0.20 1 calc PR B 6
H22T H 0.9528 0.4065 1.0779 0.047 Uiso 0.20 1 calc PR B 6
H22U H 1.0202 0.3042 1.0587 0.047 Uiso 0.20 1 calc PR B 6
C22E C 0.8676(19) 0.3587(9) 0.9339(8) 0.070(5) Uani 0.20 1 d PDU B 6
H22V H 0.9571 0.3367 0.9237 0.083 Uiso 0.20 1 calc PR B 6
H22W H 0.8671 0.4295 0.9404 0.083 Uiso 0.20 1 calc PR B 6
H22X H 0.8114 0.3408 0.8900 0.083 Uiso 0.20 1 calc PR B 6
C22F C 0.697(2) 0.355(2) 1.0423(14) 0.070(10) Uani 0.20 1 d PDU B 6
H22Y H 0.6212 0.3417 1.0093 0.084 Uiso 0.20 1 calc PR B 6
H22Z H 0.7078 0.4258 1.0478 0.084 Uiso 0.20 1 calc PR B 6
H221 H 0.6838 0.3262 1.0937 0.084 Uiso 0.20 1 calc PR B 6
C31 C 0.6802(2) -0.04154(14) 1.09830(11) 0.0351(4) Uani 1 1 d . . .
C32 C 0.6170(2) -0.05386(15) 1.15793(11) 0.0355(4) Uani 1 1 d D . .
C321 C 0.5378(2) -0.07046(17) 1.23072(11) 0.0412(5) Uani 1 1 d D . .
C322 C 0.4007(3) -0.1105(3) 1.20694(15) 0.0699(8) Uani 1 1 d D . .
H32A H 0.4110 -0.1735 1.1811 0.084 Uiso 1 1 calc R . .
H32B H 0.3584 -0.0647 1.1712 0.084 Uiso 1 1 calc R . .
H32C H 0.3465 -0.1184 1.2536 0.084 Uiso 1 1 calc R . .
C323 C 0.6111(3) -0.1432(3) 1.28347(16) 0.0820(10) Uani 1 1 d D . .
H32D H 0.6970 -0.1166 1.2970 0.098 Uiso 1 1 calc R . .
H32E H 0.6223 -0.2049 1.2558 0.098 Uiso 1 1 calc R . .
H32F H 0.5605 -0.1542 1.3311 0.098 Uiso 1 1 calc R . .
C324 C 0.5195(3) 0.0276(2) 1.27436(15) 0.0661(7) Uani 1 1 d D . .
H32G H 0.4705 0.0729 1.2413 0.079 Uiso 1 1 calc R . .
H32H H 0.6054 0.0554 1.2865 0.079 Uiso 1 1 calc R . .
H32I H 0.4712 0.0164 1.3228 0.079 Uiso 1 1 calc R . .
N1 N 0.91559(14) -0.08383(10) 0.99946(10) 0.0347(3) Uani 1 1 d . . .
C41 C 1.0353(2) -0.05909(18) 1.03442(16) 0.0588(7) Uani 1 1 d . . .
H41 H 1.0511 -0.0009 1.0660 0.071 Uiso 1 1 calc R . .
C42 C 1.1272(2) -0.12969(19) 1.01727(18) 0.0664(8) Uani 1 1 d . . .
H42 H 1.2185 -0.1308 1.0345 0.080 Uiso 1 1 calc R . .
C43 C 1.0644(2) -0.20016(17) 0.97015(14) 0.0532(6) Uani 1 1 d . . .
H43 H 1.1048 -0.2590 0.9487 0.064 Uiso 1 1 calc R . .
C44 C 0.9379(2) -0.17182(15) 0.95982(13) 0.0439(5) Uani 1 1 d . . .
H44 H 0.8724 -0.2073 0.9294 0.053 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
Si1 N1 1.7443(15) . ?
Si1 C11 1.806(2) . ?
Si1 C21 1.8095(18) . ?
Si1 C31 1.8117(19) . ?
C11 C12 1.198(3) . ?
C12 C121 1.474(3) . ?
C121 C123 1.485(9) . ?
C121 C12F 1.492(11) . ?
C121 C12E 1.501(10) . ?
C121 C12B 1.508(12) . ?
C121 C124 1.509(11) . ?
C121 C12C 1.519(12) . ?
C121 C12A 1.551(12) . ?
C121 C122 1.563(11) . ?
C121 C12D 1.617(10) . ?
C122 H12A 0.9599 . ?
C122 H12B 0.9599 . ?
C122 H12C 0.9599 . ?
C123 H12D 0.9599 . ?
C123 H12E 0.9599 . ?
C123 H12F 0.9599 . ?
C124 H12G 0.9599 . ?
C124 H12H 0.9599 . ?
C124 H12I 0.9599 . ?
C12A H12J 0.9599 . ?
C12A H12K 0.9599 . ?
C12A H12L 0.9599 . ?
C12B H12M 0.9599 . ?
C12B H12N 0.9599 . ?
C12B H12O 0.9599 . ?
C12C H12P 0.9599 . ?
C12C H12Q 0.9599 . ?
C12C H12R 0.9599 . ?
C12D H12S 0.9599 . ?
C12D H12T 0.9599 . ?
C12D H12U 0.9599 . ?
C12E H12V 0.9599 . ?
C12E H12W 0.9599 . ?
C12E H12X 0.9599 . ?
C12F H12Y 0.9599 . ?
C12F H12Z 0.9599 . ?
C12F H121 0.9599 . ?
C21 C22 1.201(2) . ?
C22 C221 1.477(2) . ?
C221 C22E 1.438(10) . ?
C221 C22C 1.469(11) . ?
C221 C22F 1.484(13) . ?
C221 C224 1.484(8) . ?
C221 C223 1.524(9) . ?
C221 C22A 1.553(6) . ?
C221 C222 1.567(8) . ?
C221 C22B 1.613(7) . ?
C221 C22D 1.700(10) . ?
C222 H22A 0.9599 . ?
C222 H22B 0.9599 . ?
C222 H22C 0.9599 . ?
C223 H22D 0.9599 . ?
C223 H22E 0.9599 . ?
C223 H22F 0.9599 . ?
C224 H22G 0.9599 . ?
C224 H22H 0.9599 . ?
C224 H22I 0.9599 . ?
C22A H22J 0.9599 . ?
C22A H22K 0.9599 . ?
C22A H22L 0.9599 . ?
C22B H22M 0.9599 . ?
C22B H22N 0.9599 . ?
C22B H22O 0.9599 . ?
C22C H22P 0.9599 . ?
C22C H22Q 0.9599 . ?
C22C H22R 0.9599 . ?
C22D H22S 0.9599 . ?
C22D H22T 0.9599 . ?
C22D H22U 0.9599 . ?
C22E H22V 0.9599 . ?
C22E H22W 0.9599 . ?
C22E H22X 0.9599 . ?
C22F H22Y 0.9599 . ?
C22F H22Z 0.9599 . ?
C22F H221 0.9599 . ?
C31 C32 1.198(3) . ?
C32 C321 1.476(3) . ?
C321 C323 1.512(3) . ?
C321 C324 1.523(3) . ?
C321 C322 1.529(3) . ?
C322 H32A 0.9599 . ?
C322 H32B 0.9599 . ?
C322 H32C 0.9599 . ?
C323 H32D 0.9599 . ?
C323 H32E 0.9599 . ?
C323 H32F 0.9599 . ?
C324 H32G 0.9599 . ?
C324 H32H 0.9599 . ?
C324 H32I 0.9599 . ?
N1 C41 1.377(3) . ?
N1 C44 1.378(2) . ?
C41 C42 1.355(3) . ?
C41 H41 0.9600 . ?
C42 C43 1.388(3) . ?
C42 H42 0.9600 . ?
C43 C44 1.335(3) . ?
C43 H43 0.9600 . ?
C44 H44 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 Si1 C11 106.40(8) . . ?
N1 Si1 C21 108.70(7) . . ?
C11 Si1 C21 112.91(9) . . ?
N1 Si1 C31 111.62(9) . . ?
C11 Si1 C31 109.71(9) . . ?
C21 Si1 C31 107.55(9) . . ?
C12 C11 Si1 176.84(19) . . ?
C11 C12 C121 179.8(3) . . ?
C12 C121 C123 109.0(6) . . ?
C12 C121 C12F 112.9(6) . . ?
C123 C121 C12F 42.6(12) . . ?
C12 C121 C12E 110.6(6) . . ?
C123 C121 C12E 140.0(8) . . ?
C12F C121 C12E 113.7(11) . . ?
C12 C121 C12B 112.0(9) . . ?
C123 C121 C12B 127.7(14) . . ?
C12F C121 C12B 133.5(11) . . ?
C12E C121 C12B 36.2(12) . . ?
C12 C121 C124 106.5(6) . . ?
C123 C121 C124 114.1(10) . . ?
C12F C121 C124 139.2(9) . . ?
C12E C121 C124 58.6(12) . . ?
C12B C121 C124 22.5(18) . . ?
C12 C121 C12C 107.3(8) . . ?
C123 C121 C12C 89.5(9) . . ?
C12F C121 C12C 47.0(11) . . ?
C12E C121 C12C 73.9(9) . . ?
C12B C121 C12C 107.6(12) . . ?
C124 C121 C12C 128.8(11) . . ?
C12 C121 C12A 108.5(8) . . ?
C123 C121 C12A 24.4(13) . . ?
C12F C121 C12A 66.3(11) . . ?
C12E C121 C12A 136.1(11) . . ?
C12B C121 C12A 109.4(14) . . ?
C124 C121 C12A 91.9(15) . . ?
C12C C121 C12A 112.1(11) . . ?
C12 C121 C122 106.7(7) . . ?
C123 C121 C122 109.9(8) . . ?
C12F C121 C122 68.3(11) . . ?
C12E C121 C122 52.8(9) . . ?
C12B C121 C122 88.0(13) . . ?
C124 C121 C122 110.3(10) . . ?
C12C C121 C122 22.1(9) . . ?
C12A C121 C122 130.4(10) . . ?
C12 C121 C12D 108.5(5) . . ?
C123 C121 C12D 67.2(10) . . ?
C12F C121 C12D 106.0(11) . . ?
C12E C121 C12D 104.4(9) . . ?
C12B C121 C12D 69.9(13) . . ?
C124 C121 C12D 49.5(10) . . ?
C12C C121 C12D 142.0(10) . . ?
C12A C121 C12D 43.3(10) . . ?
C122 C121 C12D 143.4(8) . . ?
C121 C122 H12A 109.5 . . ?
C121 C122 H12B 109.5 . . ?
C121 C122 H12C 109.5 . . ?
C121 C123 H12D 109.5 . . ?
C121 C123 H12E 109.5 . . ?
C121 C123 H12F 109.5 . . ?
C121 C124 H12G 109.5 . . ?
C121 C124 H12H 109.5 . . ?
C121 C124 H12I 109.5 . . ?
C121 C12A H12J 109.5 . . ?
C121 C12A H12K 109.5 . . ?
H12J C12A H12K 109.5 . . ?
C121 C12A H12L 109.5 . . ?
H12J C12A H12L 109.5 . . ?
H12K C12A H12L 109.5 . . ?
C121 C12B H12M 109.5 . . ?
C121 C12B H12N 109.5 . . ?
H12M C12B H12N 109.5 . . ?
C121 C12B H12O 109.5 . . ?
H12M C12B H12O 109.5 . . ?
H12N C12B H12O 109.5 . . ?
C121 C12C H12P 109.5 . . ?
C121 C12C H12Q 109.5 . . ?
H12P C12C H12Q 109.5 . . ?
C121 C12C H12R 109.5 . . ?
H12P C12C H12R 109.5 . . ?
H12Q C12C H12R 109.5 . . ?
C121 C12D H12S 109.5 . . ?
C121 C12D H12T 109.5 . . ?
C121 C12D H12U 109.5 . . ?
C121 C12E H12V 109.5 . . ?
C121 C12E H12W 109.5 . . ?
C121 C12E H12X 109.5 . . ?
C121 C12F H12Y 109.5 . . ?
C121 C12F H12Z 109.5 . . ?
C121 C12F H121 109.5 . . ?
C22 C21 Si1 171.63(15) . . ?
C21 C22 C221 177.62(18) . . ?
C22E C221 C22C 131.9(10) . . ?
C22E C221 C22 115.6(6) . . ?
C22C C221 C22 111.1(8) . . ?
C22E C221 C22F 117.5(12) . . ?
C22C C221 C22F 28.4(14) . . ?
C22 C221 C22F 111.5(12) . . ?
C22E C221 C224 80.2(8) . . ?
C22C C221 C224 94.9(6) . . ?
C22 C221 C224 109.4(3) . . ?
C22F C221 C224 119.2(12) . . ?
C22E C221 C223 32.7(8) . . ?
C22C C221 C223 118.0(9) . . ?
C22 C221 C223 110.7(5) . . ?
C22F C221 C223 93.4(11) . . ?
C224 C221 C223 111.7(5) . . ?
C22E C221 C22A 57.7(9) . . ?
C22C C221 C22A 114.0(7) . . ?
C22 C221 C22A 111.6(3) . . ?
C22F C221 C22A 132.2(13) . . ?
C224 C221 C22A 23.4(4) . . ?
C223 C221 C22A 90.0(5) . . ?
C22E C221 C222 129.9(9) . . ?
C22C C221 C222 15.4(7) . . ?
C22 C221 C222 106.8(5) . . ?
C22F C221 C222 14.8(11) . . ?
C224 C221 C222 110.1(5) . . ?
C223 C221 C222 108.0(6) . . ?
C22A C221 C222 127.9(6) . . ?
C22E C221 C22B 47.3(9) . . ?
C22C C221 C22B 110.5(7) . . ?
C22 C221 C22B 104.4(4) . . ?
C22F C221 C22B 83.5(11) . . ?
C224 C221 C22B 126.2(5) . . ?
C223 C221 C22B 14.7(5) . . ?
C22A C221 C22B 104.7(4) . . ?
C222 C221 C22B 98.3(6) . . ?
C22E C221 C22D 104.3(8) . . ?
C22C C221 C22D 75.3(7) . . ?
C22 C221 C22D 102.6(4) . . ?
C22F C221 C22D 102.8(11) . . ?
C224 C221 C22D 24.6(3) . . ?
C223 C221 C22D 134.3(5) . . ?
C22A C221 C22D 47.9(5) . . ?
C222 C221 C22D 90.6(6) . . ?
C22B C221 C22D 147.6(5) . . ?
C221 C222 H22A 109.5 . . ?
C221 C222 H22B 109.5 . . ?
C221 C222 H22C 109.5 . . ?
C221 C223 H22D 109.5 . . ?
C221 C223 H22E 109.5 . . ?
C221 C223 H22F 109.5 . . ?
C221 C224 H22G 109.5 . . ?
C221 C224 H22H 109.5 . . ?
C221 C224 H22I 109.5 . . ?
C221 C22A H22J 109.5 . . ?
C221 C22A H22K 109.5 . . ?
C221 C22A H22L 109.5 . . ?
C221 C22B H22M 109.5 . . ?
C221 C22B H22N 109.5 . . ?
C221 C22B H22O 109.5 . . ?
C221 C22C H22P 109.5 . . ?
C221 C22C H22Q 109.5 . . ?
C221 C22C H22R 109.5 . . ?
C221 C22D H22S 109.5 . . ?
C221 C22D H22T 109.5 . . ?
C221 C22D H22U 109.5 . . ?
C221 C22E H22V 109.5 . . ?
C221 C22E H22W 109.5 . . ?
C221 C22E H22X 109.5 . . ?
C221 C22F H22Y 109.5 . . ?
C221 C22F H22Z 109.5 . . ?
C221 C22F H221 109.5 . . ?
C32 C31 Si1 176.03(19) . . ?
C31 C32 C321 179.0(2) . . ?
C32 C321 C323 108.88(19) . . ?
C32 C321 C324 109.44(19) . . ?
C323 C321 C324 109.7(2) . . ?
C32 C321 C322 108.63(17) . . ?
C323 C321 C322 111.2(2) . . ?
C324 C321 C322 108.9(2) . . ?
C321 C322 H32A 109.5 . . ?
C321 C322 H32B 109.5 . . ?
H32A C322 H32B 109.5 . . ?
C321 C322 H32C 109.5 . . ?
H32A C322 H32C 109.5 . . ?
H32B C322 H32C 109.5 . . ?
C321 C323 H32D 109.5 . . ?
C321 C323 H32E 109.5 . . ?
H32D C323 H32E 109.5 . . ?
C321 C323 H32F 109.5 . . ?
H32D C323 H32F 109.5 . . ?
H32E C323 H32F 109.5 . . ?
C321 C324 H32G 109.5 . . ?
C321 C324 H32H 109.5 . . ?
H32G C324 H32H 109.5 . . ?
C321 C324 H32I 109.5 . . ?
H32G C324 H32I 109.5 . . ?
H32H C324 H32I 109.5 . . ?
C41 N1 C44 105.87(17) . . ?
C41 N1 Si1 126.44(13) . . ?
C44 N1 Si1 127.69(14) . . ?
C42 C41 N1 109.3(2) . . ?
C42 C41 H41 125.3 . . ?
N1 C41 H41 125.3 . . ?
C41 C42 C43 107.1(2) . . ?
C41 C42 H42 126.5 . . ?
C43 C42 H42 126.5 . . ?
C44 C43 C42 108.0(2) . . ?
C44 C43 H43 126.0 . . ?
C42 C43 H43 126.0 . . ?
C43 C44 N1 109.7(2) . . ?
C43 C44 H44 125.2 . . ?
N1 C44 H44 125.2 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
N1 Si1 C11 C12 83(4) . . . . ?
C21 Si1 C11 C12 -158(4) . . . . ?
C31 Si1 C11 C12 -38(4) . . . . ?
Si1 C11 C12 C121 156(100) . . . . ?
C11 C12 C121 C123 -113(100) . . . . ?
C11 C12 C121 C12F -68(100) . . . . ?
C11 C12 C121 C12E 61(100) . . . . ?
C11 C12 C121 C12B 100(100) . . . . ?
C11 C12 C121 C124 123(100) . . . . ?
C11 C12 C121 C12C -18(100) . . . . ?
C11 C12 C121 C12A -139(100) . . . . ?
C11 C12 C121 C122 5(100) . . . . ?
C11 C12 C121 C12D 175(100) . . . . ?
N1 Si1 C21 C22 -166.8(13) . . . . ?
C11 Si1 C21 C22 75.4(13) . . . . ?
C31 Si1 C21 C22 -45.8(13) . . . . ?
Si1 C21 C22 C221 -23(7) . . . . ?
C21 C22 C221 C22E -105(6) . . . . ?
C21 C22 C221 C22C 63(6) . . . . ?
C21 C22 C221 C22F 32(6) . . . . ?
C21 C22 C221 C224 166(5) . . . . ?
C21 C22 C221 C223 -70(6) . . . . ?
C21 C22 C221 C22A -169(5) . . . . ?
C21 C22 C221 C222 47(6) . . . . ?
C21 C22 C221 C22B -56(6) . . . . ?
C21 C22 C221 C22D 142(5) . . . . ?
N1 Si1 C31 C32 -179(100) . . . . ?
C11 Si1 C31 C32 -61(3) . . . . ?
C21 Si1 C31 C32 62(3) . . . . ?
Si1 C31 C32 C321 87(15) . . . . ?
C31 C32 C321 C323 92(14) . . . . ?
C31 C32 C321 C324 -148(14) . . . . ?
C31 C32 C321 C322 -29(14) . . . . ?
C11 Si1 N1 C41 159.9(2) . . . . ?
C21 Si1 N1 C41 38.1(2) . . . . ?
C31 Si1 N1 C41 -80.4(2) . . . . ?
C11 Si1 N1 C44 -20.9(2) . . . . ?
C21 Si1 N1 C44 -142.78(17) . . . . ?
C31 Si1 N1 C44 98.76(19) . . . . ?
C44 N1 C41 C42 -0.4(3) . . . . ?
Si1 N1 C41 C42 178.90(18) . . . . ?
N1 C41 C42 C43 0.3(3) . . . . ?
C41 C42 C43 C44 -0.1(3) . . . . ?
C42 C43 C44 N1 -0.1(3) . . . . ?
C41 N1 C44 C43 0.3(3) . . . . ?
Si1 N1 C44 C43 -178.96(16) . . . . ?

_diffrn_measured_fraction_theta_max 0.992
_diffrn_reflns_theta_full        74.55
_diffrn_measured_fraction_theta_full 0.992
_refine_diff_density_max         0.175
_refine_diff_density_min         -0.212
_refine_diff_density_rms         0.042
_database_code_depnum_ccdc_archive 'CCDC 992855'
#######################################################################
#
#                 Cambridge Crystallographic Data Centre
#                                CCDC 
# 
#######################################################################
# 
#  This CIF contains data from an original supplementary publication
#  deposited with the CCDC, and may include chemical, crystal,
#  experimental, refinement, atomic coordinates,
#  anisotropic displacement parameters and molecular geometry data,
#  as required by the journal to which it was submitted.
#
#  This CIF is provided on the understanding that it is used for bona
#  fide research purposes only. It may contain copyright material
#  of the CCDC or of third parties, and may not be copied or further
#  disseminated in any form, whether machine-readable or not,
#  except for the purpose of generating routine backup copies
#  on your local computer system.
# 
#  For further information on the CCDC, data deposition and
#  data retrieval see:
#                         www.ccdc.cam.ac.uk
#
#  Bona fide researchers may freely download Mercury and enCIFer
#  from this site to visualise CIF-encoded structures and 
#  to carry out CIF format checking respectively.
#
data_sad1

_audit_creation_method           SHELXL-2013
_chemical_name_systematic        
;
 ?
;
_chemical_name_common            ?
_chemical_melting_point          431
_chemical_formula_moiety         ?
_chemical_formula_sum            'C38 H69 Al2 N Si'
_chemical_formula_weight         621.99

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'
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'

_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 21/n'
_space_group_name_Hall           '-P 2yn'

_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.
;

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

_cell_length_a                   12.6637(6)
_cell_length_b                   16.9211(8)
_cell_length_c                   19.3879(8)
_cell_angle_alpha                90
_cell_angle_beta                 90.479(2)
_cell_angle_gamma                90
_cell_volume                     4154.4(3)
_cell_formula_units_Z            4
_cell_measurement_temperature    153(2)
_cell_measurement_reflns_used    4559
_cell_measurement_theta_min      2.63
_cell_measurement_theta_max      24.91

_exptl_crystal_description       plate
_exptl_crystal_colour            colourless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    0.994
_exptl_crystal_F_000             1376
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.290
_exptl_crystal_size_mid          0.160
_exptl_crystal_size_min          0.020
_exptl_absorpt_coefficient_mu    0.122
_shelx_estimated_absorpt_T_min   0.965
_shelx_estimated_absorpt_T_max   0.998
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_correction_T_min  0.9307
_exptl_absorpt_correction_T_max  1
_exptl_absorpt_process_details   SADABS

_exptl_special_details           
;
 ?
;

_diffrn_ambient_temperature      153(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   microsource
_diffrn_measurement_device_type  'multilayer optic'
_diffrn_measurement_method       'CCD area detector'
_diffrn_detector_area_resol_mean 'omega scans'
_diffrn_reflns_number            34357
_diffrn_reflns_av_unetI/netI     0.0817
_diffrn_reflns_av_R_equivalents  0.0721
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_theta_min         2.627
_diffrn_reflns_theta_max         28.367
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measured_fraction_theta_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.995
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.995
_diffrn_reflns_point_group_measured_fraction_full 0.999
_reflns_number_total             10348
_reflns_number_gt                6410
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_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.
;

_computing_data_collection       'Bruker SMART'
_computing_cell_refinement       'Bruker SAINT+'
_computing_data_reduction        'Bruker SHELXTL'
_computing_structure_solution    'SHELXS-2013 (Sheldrick, 2013)'
_computing_structure_refinement  'SHELXL-2013 (Sheldrick, 2013)'
_computing_molecular_graphics    'Diamond 3.2i (Crystal Impact, 2012)'
_computing_publication_material  'Bruker SHELXTL'

_refine_special_details          
;
 ?
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0617P)²+0.1445P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         10348
_refine_ls_number_parameters     431
_refine_ls_number_restraints     84
_refine_ls_R_factor_all          0.1024
_refine_ls_R_factor_gt           0.0504
_refine_ls_wR_factor_ref         0.1332
_refine_ls_wR_factor_gt          0.1147
_refine_ls_goodness_of_fit_ref   1.021
_refine_ls_restrained_S_all      1.019
_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_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
Si1 Si 0.42629(4) 0.09830(3) 0.21662(2) 0.01861(12) Uani 1 1 d . . . . .
C11 C 0.28196(13) 0.09252(11) 0.20712(9) 0.0189(4) Uani 1 1 d . . . . .
C12 C 0.20078(14) 0.07387(11) 0.24784(9) 0.0223(4) Uani 1 1 d . . . . .
H12 H 0.1334 0.0756 0.2248 0.027 Uiso 1 1 calc R U . . .
C121 C 0.19437(15) 0.05060(12) 0.32314(9) 0.0273(4) Uani 1 1 d . . . . .
C122 C 0.12896(19) -0.02485(15) 0.32775(12) 0.0465(6) Uani 1 1 d . . . . .
H12A H 0.0612 -0.0163 0.3065 0.056 Uiso 1 1 calc R U . . .
H12B H 0.1197 -0.0388 0.3753 0.056 Uiso 1 1 calc R U . . .
H12C H 0.1648 -0.0669 0.3044 0.056 Uiso 1 1 calc R U . . .
C123 C 0.13534(19) 0.11656(15) 0.36070(11) 0.0481(6) Uani 1 1 d . . . . .
H12D H 0.1760 0.1644 0.3589 0.058 Uiso 1 1 calc R U . . .
H12E H 0.1250 0.1017 0.4079 0.058 Uiso 1 1 calc R U . . .
H12F H 0.0680 0.1250 0.3388 0.058 Uiso 1 1 calc R U . . .
C124 C 0.30129(16) 0.03749(14) 0.35677(10) 0.0351(5) Uani 1 1 d . . . . .
H12G H 0.3393 -0.0020 0.3316 0.042 Uiso 1 1 calc R U . . .
H12H H 0.2919 0.0201 0.4035 0.042 Uiso 1 1 calc R U . . .
H12I H 0.3405 0.0861 0.3566 0.042 Uiso 1 1 calc R U . . .
Al1 Al 0.25980(4) 0.12769(3) 0.10956(3) 0.02131(14) Uani 1 1 d . . . . .
C131 C 0.16869(15) 0.22339(12) 0.09847(10) 0.0274(4) Uani 1 1 d . . . . .
C132 C 0.1846(2) 0.28175(14) 0.15753(12) 0.0493(6) Uani 1 1 d . . . . .
H13A H 0.2550 0.3027 0.1560 0.059 Uiso 1 1 calc R U . . .
H13B H 0.1743 0.2552 0.2007 0.059 Uiso 1 1 calc R U . . .
H13C H 0.1346 0.3241 0.1531 0.059 Uiso 1 1 calc R U . . .
C133 C 0.05567(16) 0.19129(15) 0.10253(12) 0.0439(6) Uani 1 1 d . . . . .
H13D H 0.0463 0.1648 0.1458 0.053 Uiso 1 1 calc R U . . .
H13E H 0.0435 0.1547 0.0654 0.053 Uiso 1 1 calc R U . . .
H13F H 0.0065 0.2343 0.0989 0.053 Uiso 1 1 calc R U . . .
C134 C 0.17817(17) 0.26915(14) 0.03127(11) 0.0399(5) Uani 1 1 d . . . . .
H13G H 0.1242 0.3090 0.0291 0.048 Uiso 1 1 calc R U . . .
H13H H 0.1699 0.2336 -0.0070 0.048 Uiso 1 1 calc R U . . .
H13I H 0.2464 0.2938 0.0293 0.048 Uiso 1 1 calc R U . . .
C141 C 0.25571(16) 0.04238(12) 0.03876(10) 0.0304(5) Uani 1 1 d D . . . .
C142 C 0.36369(18) 0.00530(14) 0.02396(11) 0.0424(6) Uani 1 1 d D . . . .
H14A H 0.3932 -0.0157 0.0659 0.051 Uiso 1 1 calc R U . . .
H14B H 0.4101 0.0449 0.0058 0.051 Uiso 1 1 calc R U . . .
H14C H 0.3554 -0.0365 -0.0091 0.051 Uiso 1 1 calc R U . . .
C143 C 0.20935(19) 0.06969(15) -0.03101(11) 0.0448(6) Uani 1 1 d D . . . .
H14D H 0.2045 0.0254 -0.0618 0.054 Uiso 1 1 calc R U . . .
H14E H 0.2544 0.1092 -0.0506 0.054 Uiso 1 1 calc R U . . .
H14F H 0.1403 0.0915 -0.0241 0.054 Uiso 1 1 calc R U . . .
C144 C 0.1835(2) -0.02195(15) 0.06646(12) 0.0529(7) Uani 1 1 d D . . . .
H14G H 0.1767 -0.0633 0.0329 0.063 Uiso 1 1 calc R U . . .
H14H H 0.1152 0.0000 0.0757 0.063 Uiso 1 1 calc R U . . .
H14I H 0.2132 -0.0431 0.1083 0.063 Uiso 1 1 calc R U . . .
C21 C 0.52386(13) 0.12765(11) 0.28304(9) 0.0223(4) Uani 1 1 d . . . . .
C22 C 0.53213(15) 0.19024(12) 0.32488(10) 0.0288(5) Uani 1 1 d . . . . .
H22 H 0.5939 0.1886 0.3539 0.035 Uiso 1 1 calc R U . . .
C221 C 0.46515(16) 0.26322(12) 0.33639(11) 0.0324(5) Uani 1 1 d . . . . .
C222 C 0.37289(17) 0.26891(13) 0.28601(11) 0.0359(5) Uani 1 1 d . . . . .
H22A H 0.3990 0.2690 0.2397 0.043 Uiso 1 1 calc R U . . .
H22B H 0.3346 0.3169 0.2943 0.043 Uiso 1 1 calc R U . . .
H22C H 0.3269 0.2244 0.2923 0.043 Uiso 1 1 calc R U . . .
C223 C 0.42340(19) 0.26065(15) 0.41024(11) 0.0479(6) Uani 1 1 d . . . . .
H22D H 0.3807 0.2143 0.4161 0.057 Uiso 1 1 calc R U . . .
H22E H 0.3815 0.3069 0.4188 0.057 Uiso 1 1 calc R U . . .
H22F H 0.4817 0.2592 0.4421 0.057 Uiso 1 1 calc R U . . .
C224 C 0.53545(19) 0.33523(14) 0.32734(14) 0.0526(7) Uani 1 1 d . . . . .
H22G H 0.5942 0.3321 0.3589 0.063 Uiso 1 1 calc R U . . .
H22H H 0.4956 0.3823 0.3366 0.063 Uiso 1 1 calc R U . . .
H22I H 0.5610 0.3368 0.2809 0.063 Uiso 1 1 calc R U . . .
Al2 Al 0.64794(4) 0.05411(4) 0.28695(3) 0.02586(15) Uani 1 1 d . . . . .
C231 C 0.77790(15) 0.10318(14) 0.24653(12) 0.0380(5) Uani 1 1 d . . . . .
C232 C 0.75125(18) 0.15531(17) 0.18432(15) 0.0614(8) Uani 1 1 d . . . . .
H23A H 0.8140 0.1815 0.1690 0.074 Uiso 1 1 calc R U . . .
H23B H 0.6996 0.1940 0.1973 0.074 Uiso 1 1 calc R U . . .
H23C H 0.7234 0.1231 0.1477 0.074 Uiso 1 1 calc R U . . .
C233 C 0.8322(2) 0.15533(18) 0.30038(15) 0.0685(8) Uani 1 1 d . . . . .
H23D H 0.8507 0.1240 0.3400 0.082 Uiso 1 1 calc R U . . .
H23E H 0.7851 0.1968 0.3140 0.082 Uiso 1 1 calc R U . . .
H23F H 0.8949 0.1779 0.2811 0.082 Uiso 1 1 calc R U . . .
C234 C 0.85703(17) 0.04043(16) 0.22341(14) 0.0530(7) Uani 1 1 d . . . . .
H23G H 0.8249 0.0075 0.1888 0.064 Uiso 1 1 calc R U . . .
H23H H 0.8776 0.0086 0.2623 0.064 Uiso 1 1 calc R U . . .
H23I H 0.9182 0.0658 0.2046 0.064 Uiso 1 1 calc R U . . .
C241 C 0.66248(17) -0.01600(13) 0.36969(11) 0.0362(5) Uani 1 1 d D U . . .
C242 C 0.7303(10) 0.0246(7) 0.4224(4) 0.069(3) Uani 0.432(13) 1 d D U P A 1
H24A H 0.6989 0.0742 0.4346 0.083 Uiso 0.432(13) 1 calc R U P A 1
H24B H 0.7992 0.0337 0.4036 0.083 Uiso 0.432(13) 1 calc R U P A 1
H24C H 0.7364 -0.0081 0.4627 0.083 Uiso 0.432(13) 1 calc R U P A 1
C243 C 0.7209(11) -0.0954(7) 0.3520(5) 0.067(3) Uani 0.432(13) 1 d D U P A 1
H24D H 0.7368 -0.1234 0.3939 0.080 Uiso 0.432(13) 1 calc R U P A 1
H24E H 0.7853 -0.0838 0.3282 0.080 Uiso 0.432(13) 1 calc R U P A 1
H24F H 0.6763 -0.1274 0.3231 0.080 Uiso 0.432(13) 1 calc R U P A 1
C244 C 0.5569(8) -0.0389(10) 0.3972(10) 0.073(4) Uani 0.432(13) 1 d D U P A 1
H24G H 0.5170 -0.0655 0.3619 0.087 Uiso 0.432(13) 1 calc R U P A 1
H24H H 0.5196 0.0077 0.4114 0.087 Uiso 0.432(13) 1 calc R U P A 1
H24I H 0.5662 -0.0734 0.4361 0.087 Uiso 0.432(13) 1 calc R U P A 1
C24A C 0.6650(10) 0.0418(3) 0.4337(3) 0.066(2) Uani 0.568(13) 1 d D U P A 2
H24J H 0.5978 0.0675 0.4378 0.079 Uiso 0.568(13) 1 calc R U P A 2
H24K H 0.7191 0.0807 0.4273 0.079 Uiso 0.568(13) 1 calc R U P A 2
H24L H 0.6796 0.0121 0.4749 0.079 Uiso 0.568(13) 1 calc R U P A 2
C24B C 0.7614(5) -0.0648(5) 0.3727(5) 0.061(2) Uani 0.568(13) 1 d D U P A 2
H24M H 0.7667 -0.0903 0.4168 0.073 Uiso 0.568(13) 1 calc R U P A 2
H24N H 0.8216 -0.0313 0.3662 0.073 Uiso 0.568(13) 1 calc R U P A 2
H24O H 0.7592 -0.1041 0.3369 0.073 Uiso 0.568(13) 1 calc R U P A 2
C24C C 0.5680(6) -0.0682(6) 0.3826(6) 0.051(2) Uani 0.568(13) 1 d D U P A 2
H24P H 0.5760 -0.0940 0.4264 0.062 Uiso 0.568(13) 1 calc R U P A 2
H24Q H 0.5627 -0.1073 0.3468 0.062 Uiso 0.568(13) 1 calc R U P A 2
H24R H 0.5050 -0.0366 0.3827 0.062 Uiso 0.568(13) 1 calc R U P A 2
C31 C 0.45279(13) 0.15345(11) 0.13536(9) 0.0219(4) Uani 1 1 d . . . . .
C32 C 0.47642(14) 0.19422(11) 0.08673(9) 0.0234(4) Uani 1 1 d . . . . .
C321 C 0.51421(15) 0.24598(11) 0.03058(9) 0.0273(4) Uani 1 1 d . . . . .
C322 C 0.63422(17) 0.23523(14) 0.02477(12) 0.0409(6) Uani 1 1 d . . . . .
H32A H 0.6672 0.2477 0.0682 0.049 Uiso 1 1 calc R U . . .
H32B H 0.6608 0.2698 -0.0103 0.049 Uiso 1 1 calc R U . . .
H32C H 0.6496 0.1814 0.0128 0.049 Uiso 1 1 calc R U . . .
C323 C 0.46170(19) 0.22309(15) -0.03777(10) 0.0424(6) Uani 1 1 d . . . . .
H32D H 0.4776 0.1689 -0.0482 0.051 Uiso 1 1 calc R U . . .
H32E H 0.4879 0.2564 -0.0739 0.051 Uiso 1 1 calc R U . . .
H32F H 0.3866 0.2295 -0.0342 0.051 Uiso 1 1 calc R U . . .
C324 C 0.48957(17) 0.33167(12) 0.04881(11) 0.0363(5) Uani 1 1 d . . . . .
H32G H 0.4147 0.3380 0.0538 0.044 Uiso 1 1 calc R U . . .
H32H H 0.5141 0.3657 0.0127 0.044 Uiso 1 1 calc R U . . .
H32I H 0.5244 0.3452 0.0914 0.044 Uiso 1 1 calc R U . . .
N1 N 0.47519(11) 0.00057(9) 0.19856(7) 0.0219(3) Uani 1 1 d . . . . .
C41 C 0.58170(14) -0.01443(12) 0.18760(9) 0.0279(4) Uani 1 1 d . . . . .
H41 H 0.6350 0.0246 0.1789 0.033 Uiso 1 1 calc R U . . .
C42 C 0.59779(17) -0.09496(13) 0.19129(10) 0.0354(5) Uani 1 1 d . . . . .
H42 H 0.6636 -0.1219 0.1846 0.042 Uiso 1 1 calc R U . . .
C43 C 0.50143(18) -0.12989(13) 0.20646(10) 0.0365(5) Uani 1 1 d . . . . .
H43 H 0.4885 -0.1853 0.2129 0.044 Uiso 1 1 calc R U . . .
C44 C 0.42834(16) -0.07039(12) 0.21045(9) 0.0280(4) Uani 1 1 d . . . . .
H44 H 0.3548 -0.0777 0.2202 0.034 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
Si1 N1 1.8012(16) . ?
Si1 C11 1.8381(17) . ?
Si1 C21 1.8454(18) . ?
Si1 C31 1.8638(19) . ?
C11 C12 1.339(2) . ?
C11 Al1 2.0004(18) . ?
C12 C121 1.515(2) . ?
C12 H12 0.9600 . ?
C121 C124 1.514(3) . ?
C121 C122 1.525(3) . ?
C121 C123 1.531(3) . ?
C122 H12A 0.9599 . ?
C122 H12B 0.9599 . ?
C122 H12C 0.9599 . ?
C123 H12D 0.9599 . ?
C123 H12E 0.9599 . ?
C123 H12F 0.9599 . ?
C124 H12G 0.9599 . ?
C124 H12H 0.9599 . ?
C124 H12I 0.9599 . ?
Al1 C141 1.992(2) . ?
Al1 C131 1.999(2) . ?
C131 C134 1.521(3) . ?
C131 C132 1.524(3) . ?
C131 C133 1.533(3) . ?
C132 H13A 0.9599 . ?
C132 H13B 0.9599 . ?
C132 H13C 0.9599 . ?
C133 H13D 0.9599 . ?
C133 H13E 0.9599 . ?
C133 H13F 0.9599 . ?
C134 H13G 0.9599 . ?
C134 H13H 0.9599 . ?
C134 H13I 0.9599 . ?
C141 C144 1.522(3) . ?
C141 C142 1.534(3) . ?
C141 C143 1.541(3) . ?
C142 H14A 0.9599 . ?
C142 H14B 0.9599 . ?
C142 H14C 0.9599 . ?
C143 H14D 0.9599 . ?
C143 H14E 0.9599 . ?
C143 H14F 0.9599 . ?
C144 H14G 0.9599 . ?
C144 H14H 0.9599 . ?
C144 H14I 0.9599 . ?
C21 C22 1.337(3) . ?
C21 Al2 2.0054(19) . ?
C22 C221 1.516(3) . ?
C22 H22 0.9600 . ?
C221 C222 1.520(3) . ?
C221 C224 1.520(3) . ?
C221 C223 1.531(3) . ?
C222 H22A 0.9599 . ?
C222 H22B 0.9599 . ?
C222 H22C 0.9599 . ?
C223 H22D 0.9599 . ?
C223 H22E 0.9599 . ?
C223 H22F 0.9599 . ?
C224 H22G 0.9599 . ?
C224 H22H 0.9599 . ?
C224 H22I 0.9599 . ?
Al2 C241 2.002(2) . ?
Al2 C231 2.008(2) . ?
Al2 C41 2.394(2) . ?
C231 C233 1.526(3) . ?
C231 C234 1.530(3) . ?
C231 C232 1.530(3) . ?
C232 H23A 0.9599 . ?
C232 H23B 0.9599 . ?
C232 H23C 0.9599 . ?
C233 H23D 0.9599 . ?
C233 H23E 0.9599 . ?
C233 H23F 0.9599 . ?
C234 H23G 0.9599 . ?
C234 H23H 0.9599 . ?
C234 H23I 0.9599 . ?
C241 C244 1.495(10) . ?
C241 C242 1.496(7) . ?
C241 C24B 1.501(6) . ?
C241 C24C 1.510(8) . ?
C241 C243 1.573(8) . ?
C241 C24A 1.580(6) . ?
C242 H24A 0.9599 . ?
C242 H24B 0.9599 . ?
C242 H24C 0.9599 . ?
C243 H24D 0.9599 . ?
C243 H24E 0.9599 . ?
C243 H24F 0.9599 . ?
C244 H24G 0.9599 . ?
C244 H24H 0.9599 . ?
C244 H24I 0.9599 . ?
C24A H24J 0.9599 . ?
C24A H24K 0.9599 . ?
C24A H24L 0.9599 . ?
C24B H24M 0.9599 . ?
C24B H24N 0.9599 . ?
C24B H24O 0.9599 . ?
C24C H24P 0.9599 . ?
C24C H24Q 0.9599 . ?
C24C H24R 0.9599 . ?
C31 C32 1.208(2) . ?
C32 C321 1.480(2) . ?
C321 C324 1.525(3) . ?
C321 C323 1.528(3) . ?
C321 C322 1.536(3) . ?
C322 H32A 0.9599 . ?
C322 H32B 0.9599 . ?
C322 H32C 0.9599 . ?
C323 H32D 0.9599 . ?
C323 H32E 0.9599 . ?
C323 H32F 0.9599 . ?
C324 H32G 0.9599 . ?
C324 H32H 0.9599 . ?
C324 H32I 0.9599 . ?
N1 C44 1.360(2) . ?
N1 C41 1.390(2) . ?
C41 C42 1.380(3) . ?
C41 H41 0.9600 . ?
C42 C43 1.390(3) . ?
C42 H42 0.9600 . ?
C43 C44 1.370(3) . ?
C43 H43 0.9600 . ?
C44 H44 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 Si1 C11 105.95(8) . . ?
N1 Si1 C21 98.82(8) . . ?
C11 Si1 C21 138.05(8) . . ?
N1 Si1 C31 103.34(8) . . ?
C11 Si1 C31 97.35(8) . . ?
C21 Si1 C31 109.33(8) . . ?
C12 C11 Si1 136.14(14) . . ?
C12 C11 Al1 121.69(13) . . ?
Si1 C11 Al1 102.15(8) . . ?
C11 C12 C121 132.61(17) . . ?
C11 C12 H12 113.7 . . ?
C121 C12 H12 113.7 . . ?
C124 C121 C12 113.46(15) . . ?
C124 C121 C122 109.66(18) . . ?
C12 C121 C122 107.92(17) . . ?
C124 C121 C123 109.89(18) . . ?
C12 C121 C123 107.41(17) . . ?
C122 C121 C123 108.35(17) . . ?
C121 C122 H12A 109.5 . . ?
C121 C122 H12B 109.5 . . ?
H12A C122 H12B 109.5 . . ?
C121 C122 H12C 109.5 . . ?
H12A C122 H12C 109.5 . . ?
H12B C122 H12C 109.5 . . ?
C121 C123 H12D 109.5 . . ?
C121 C123 H12E 109.5 . . ?
H12D C123 H12E 109.5 . . ?
C121 C123 H12F 109.5 . . ?
H12D C123 H12F 109.5 . . ?
H12E C123 H12F 109.5 . . ?
C121 C124 H12G 109.5 . . ?
C121 C124 H12H 109.5 . . ?
H12G C124 H12H 109.5 . . ?
C121 C124 H12I 109.5 . . ?
H12G C124 H12I 109.5 . . ?
H12H C124 H12I 109.5 . . ?
C141 Al1 C131 120.08(8) . . ?
C141 Al1 C11 116.01(8) . . ?
C131 Al1 C11 114.77(8) . . ?
C134 C131 C132 107.62(18) . . ?
C134 C131 C133 107.74(16) . . ?
C132 C131 C133 107.97(18) . . ?
C134 C131 Al1 117.06(14) . . ?
C132 C131 Al1 111.80(13) . . ?
C133 C131 Al1 104.22(14) . . ?
C131 C132 H13A 109.5 . . ?
C131 C132 H13B 109.5 . . ?
H13A C132 H13B 109.5 . . ?
C131 C132 H13C 109.5 . . ?
H13A C132 H13C 109.5 . . ?
H13B C132 H13C 109.5 . . ?
C131 C133 H13D 109.5 . . ?
C131 C133 H13E 109.5 . . ?
H13D C133 H13E 109.5 . . ?
C131 C133 H13F 109.5 . . ?
H13D C133 H13F 109.5 . . ?
H13E C133 H13F 109.5 . . ?
C131 C134 H13G 109.5 . . ?
C131 C134 H13H 109.5 . . ?
H13G C134 H13H 109.5 . . ?
C131 C134 H13I 109.5 . . ?
H13G C134 H13I 109.5 . . ?
H13H C134 H13I 109.5 . . ?
C144 C141 C142 108.21(19) . . ?
C144 C141 C143 107.38(18) . . ?
C142 C141 C143 106.99(17) . . ?
C144 C141 Al1 106.69(14) . . ?
C142 C141 Al1 114.03(14) . . ?
C143 C141 Al1 113.26(15) . . ?
C141 C142 H14A 109.5 . . ?
C141 C142 H14B 109.5 . . ?
H14A C142 H14B 109.5 . . ?
C141 C142 H14C 109.5 . . ?
H14A C142 H14C 109.5 . . ?
H14B C142 H14C 109.5 . . ?
C141 C143 H14D 109.5 . . ?
C141 C143 H14E 109.5 . . ?
H14D C143 H14E 109.5 . . ?
C141 C143 H14F 109.5 . . ?
H14D C143 H14F 109.5 . . ?
H14E C143 H14F 109.5 . . ?
C141 C144 H14G 109.5 . . ?
C141 C144 H14H 109.5 . . ?
H14G C144 H14H 109.5 . . ?
C141 C144 H14I 109.5 . . ?
H14G C144 H14I 109.5 . . ?
H14H C144 H14I 109.5 . . ?
C22 C21 Si1 133.23(15) . . ?
C22 C21 Al2 114.27(13) . . ?
Si1 C21 Al2 112.29(10) . . ?
C21 C22 C221 133.89(18) . . ?
C21 C22 H22 113.1 . . ?
C221 C22 H22 113.1 . . ?
C22 C221 C222 112.65(17) . . ?
C22 C221 C224 107.89(17) . . ?
C222 C221 C224 108.84(19) . . ?
C22 C221 C223 108.22(17) . . ?
C222 C221 C223 109.46(18) . . ?
C224 C221 C223 109.74(19) . . ?
C221 C222 H22A 109.5 . . ?
C221 C222 H22B 109.5 . . ?
H22A C222 H22B 109.5 . . ?
C221 C222 H22C 109.5 . . ?
H22A C222 H22C 109.5 . . ?
H22B C222 H22C 109.5 . . ?
C221 C223 H22D 109.5 . . ?
C221 C223 H22E 109.5 . . ?
H22D C223 H22E 109.5 . . ?
C221 C223 H22F 109.5 . . ?
H22D C223 H22F 109.5 . . ?
H22E C223 H22F 109.5 . . ?
C221 C224 H22G 109.5 . . ?
C221 C224 H22H 109.5 . . ?
H22G C224 H22H 109.5 . . ?
C221 C224 H22I 109.5 . . ?
H22G C224 H22I 109.5 . . ?
H22H C224 H22I 109.5 . . ?
C241 Al2 C21 117.69(8) . . ?
C241 Al2 C231 119.17(9) . . ?
C21 Al2 C231 111.91(9) . . ?
C241 Al2 C41 112.75(9) . . ?
C21 Al2 C41 90.06(7) . . ?
C231 Al2 C41 99.74(8) . . ?
C233 C231 C234 108.0(2) . . ?
C233 C231 C232 107.5(2) . . ?
C234 C231 C232 108.1(2) . . ?
C233 C231 Al2 109.75(16) . . ?
C234 C231 Al2 111.61(16) . . ?
C232 C231 Al2 111.71(14) . . ?
C231 C232 H23A 109.5 . . ?
C231 C232 H23B 109.5 . . ?
H23A C232 H23B 109.5 . . ?
C231 C232 H23C 109.5 . . ?
H23A C232 H23C 109.5 . . ?
H23B C232 H23C 109.5 . . ?
C231 C233 H23D 109.5 . . ?
C231 C233 H23E 109.5 . . ?
H23D C233 H23E 109.5 . . ?
C231 C233 H23F 109.5 . . ?
H23D C233 H23F 109.5 . . ?
H23E C233 H23F 109.5 . . ?
C231 C234 H23G 109.5 . . ?
C231 C234 H23H 109.5 . . ?
H23G C234 H23H 109.5 . . ?
C231 C234 H23I 109.5 . . ?
H23G C234 H23I 109.5 . . ?
H23H C234 H23I 109.5 . . ?
C244 C241 C242 112.7(7) . . ?
C24B C241 C24C 109.5(5) . . ?
C244 C241 C243 106.3(6) . . ?
C242 C241 C243 105.8(5) . . ?
C24B C241 C24A 107.4(4) . . ?
C24C C241 C24A 104.0(5) . . ?
C244 C241 Al2 111.3(7) . . ?
C242 C241 Al2 108.9(4) . . ?
C24B C241 Al2 115.3(3) . . ?
C24C C241 Al2 114.3(5) . . ?
C243 C241 Al2 111.8(4) . . ?
C24A C241 Al2 105.3(2) . . ?
C241 C242 H24A 109.5 . . ?
C241 C242 H24B 109.5 . . ?
H24A C242 H24B 109.5 . . ?
C241 C242 H24C 109.5 . . ?
H24A C242 H24C 109.5 . . ?
H24B C242 H24C 109.5 . . ?
C241 C243 H24D 109.5 . . ?
C241 C243 H24E 109.5 . . ?
H24D C243 H24E 109.5 . . ?
C241 C243 H24F 109.5 . . ?
H24D C243 H24F 109.5 . . ?
H24E C243 H24F 109.5 . . ?
C241 C244 H24G 109.5 . . ?
C241 C244 H24H 109.5 . . ?
H24G C244 H24H 109.5 . . ?
C241 C244 H24I 109.5 . . ?
H24G C244 H24I 109.5 . . ?
H24H C244 H24I 109.5 . . ?
C241 C24A H24J 109.5 . . ?
C241 C24A H24K 109.5 . . ?
H24J C24A H24K 109.5 . . ?
C241 C24A H24L 109.5 . . ?
H24J C24A H24L 109.5 . . ?
H24K C24A H24L 109.5 . . ?
C241 C24B H24M 109.5 . . ?
C241 C24B H24N 109.5 . . ?
H24M C24B H24N 109.5 . . ?
C241 C24B H24O 109.5 . . ?
H24M C24B H24O 109.5 . . ?
H24N C24B H24O 109.5 . . ?
C241 C24C H24P 109.5 . . ?
C241 C24C H24Q 109.5 . . ?
H24P C24C H24Q 109.5 . . ?
C241 C24C H24R 109.5 . . ?
H24P C24C H24R 109.5 . . ?
H24Q C24C H24R 109.5 . . ?
C32 C31 Si1 173.30(17) . . ?
C31 C32 C321 174.84(19) . . ?
C32 C321 C324 108.92(15) . . ?
C32 C321 C323 110.30(16) . . ?
C324 C321 C323 110.71(18) . . ?
C32 C321 C322 108.07(16) . . ?
C324 C321 C322 109.52(17) . . ?
C323 C321 C322 109.28(16) . . ?
C321 C322 H32A 109.5 . . ?
C321 C322 H32B 109.5 . . ?
H32A C322 H32B 109.5 . . ?
C321 C322 H32C 109.5 . . ?
H32A C322 H32C 109.5 . . ?
H32B C322 H32C 109.5 . . ?
C321 C323 H32D 109.5 . . ?
C321 C323 H32E 109.5 . . ?
H32D C323 H32E 109.5 . . ?
C321 C323 H32F 109.5 . . ?
H32D C323 H32F 109.5 . . ?
H32E C323 H32F 109.5 . . ?
C321 C324 H32G 109.5 . . ?
C321 C324 H32H 109.5 . . ?
H32G C324 H32H 109.5 . . ?
C321 C324 H32I 109.5 . . ?
H32G C324 H32I 109.5 . . ?
H32H C324 H32I 109.5 . . ?
C44 N1 C41 106.85(16) . . ?
C44 N1 Si1 128.80(13) . . ?
C41 N1 Si1 122.20(13) . . ?
C42 C41 N1 108.39(18) . . ?
C42 C41 Al2 112.71(14) . . ?
N1 C41 Al2 97.03(11) . . ?
C42 C41 H41 125.8 . . ?
N1 C41 H41 125.8 . . ?
Al2 C41 H41 64.2 . . ?
C41 C42 C43 107.55(18) . . ?
C41 C42 H42 126.2 . . ?
C43 C42 H42 126.2 . . ?
C44 C43 C42 107.1(2) . . ?
C44 C43 H43 126.4 . . ?
C42 C43 H43 126.4 . . ?
N1 C44 C43 110.08(18) . . ?
N1 C44 H44 125.0 . . ?
C43 C44 H44 125.0 . . ?

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 Si1 C11 C12 87.2(2) . . . . ?
C21 Si1 C11 C12 -36.7(3) . . . . ?
C31 Si1 C11 C12 -166.7(2) . . . . ?
N1 Si1 C11 Al1 -94.72(8) . . . . ?
C21 Si1 C11 Al1 141.46(11) . . . . ?
C31 Si1 C11 Al1 11.48(9) . . . . ?
Si1 C11 C12 C121 1.9(4) . . . . ?
Al1 C11 C12 C121 -175.95(17) . . . . ?
C11 C12 C121 C124 -7.6(3) . . . . ?
C11 C12 C121 C122 -129.3(2) . . . . ?
C11 C12 C121 C123 114.1(2) . . . . ?
N1 Si1 C21 C22 -172.84(19) . . . . ?
C11 Si1 C21 C22 -46.8(3) . . . . ?
C31 Si1 C21 C22 79.6(2) . . . . ?
N1 Si1 C21 Al2 12.94(10) . . . . ?
C11 Si1 C21 Al2 139.01(10) . . . . ?
C31 Si1 C21 Al2 -94.64(10) . . . . ?
Si1 C21 C22 C221 0.7(4) . . . . ?
Al2 C21 C22 C221 174.86(18) . . . . ?
C21 C22 C221 C222 -5.0(3) . . . . ?
C21 C22 C221 C224 -125.1(2) . . . . ?
C21 C22 C221 C223 116.2(2) . . . . ?
C11 Si1 N1 C44 -31.76(18) . . . . ?
C21 Si1 N1 C44 114.04(17) . . . . ?
C31 Si1 N1 C44 -133.56(16) . . . . ?
C11 Si1 N1 C41 167.22(14) . . . . ?
C21 Si1 N1 C41 -46.98(15) . . . . ?
C31 Si1 N1 C41 65.42(15) . . . . ?
C44 N1 C41 C42 1.5(2) . . . . ?
Si1 N1 C41 C42 166.12(13) . . . . ?
C44 N1 C41 Al2 -115.33(13) . . . . ?
Si1 N1 C41 Al2 49.31(14) . . . . ?
N1 C41 C42 C43 -1.6(2) . . . . ?
Al2 C41 C42 C43 104.61(16) . . . . ?
C41 C42 C43 C44 1.1(2) . . . . ?
C41 N1 C44 C43 -0.8(2) . . . . ?
Si1 N1 C44 C43 -164.09(14) . . . . ?
C42 C43 C44 N1 -0.2(2) . . . . ?

_refine_diff_density_max         0.297
_refine_diff_density_min         -0.286
_refine_diff_density_rms         0.055

_shelxl_version_number           2013-4

_database_code_depnum_ccdc_archive 'CCDC 992856'
#######################################################################
#
#                 Cambridge Crystallographic Data Centre
#                                CCDC 
# 
#######################################################################
# 
#  This CIF contains data from an original supplementary publication
#  deposited with the CCDC, and may include chemical, crystal,
#  experimental, refinement, atomic coordinates,
#  anisotropic displacement parameters and molecular geometry data,
#  as required by the journal to which it was submitted.
#
#  This CIF is provided on the understanding that it is used for bona
#  fide research purposes only. It may contain copyright material
#  of the CCDC or of third parties, and may not be copied or further
#  disseminated in any form, whether machine-readable or not,
#  except for the purpose of generating routine backup copies
#  on your local computer system.
# 
#  For further information on the CCDC, data deposition and
#  data retrieval see:
#                         www.ccdc.cam.ac.uk
#
#  Bona fide researchers may freely download Mercury and enCIFer
#  from this site to visualise CIF-encoded structures and 
#  to carry out CIF format checking respectively.
#
data_sad

_audit_creation_method           SHELXL-2013
_chemical_name_systematic        
;
 ?
;
_chemical_name_common            ?
_chemical_melting_point          435
_chemical_formula_moiety         ?
_chemical_formula_sum            'C38 H69 Ga2 N Si'
_chemical_formula_weight         707.47

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'
Si Si 0.0817 0.0704 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ga Ga 0.2307 1.6083 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 21/n'
_space_group_name_Hall           '-P 2yn'

_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.
;

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

_cell_length_a                   12.6965(3)
_cell_length_b                   16.9151(4)
_cell_length_c                   19.3913(5)
_cell_angle_alpha                90
_cell_angle_beta                 90.5890(10)
_cell_angle_gamma                90
_cell_volume                     4164.30(18)
_cell_formula_units_Z            4
_cell_measurement_temperature    153(2)
_cell_measurement_reflns_used    9961
_cell_measurement_theta_min      2.41
_cell_measurement_theta_max      29.16

_exptl_crystal_description       plate
_exptl_crystal_colour            colourless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.128
_exptl_crystal_F_000             1520
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.360
_exptl_crystal_size_mid          0.110
_exptl_crystal_size_min          0.020
_exptl_absorpt_coefficient_mu    1.346
_shelx_estimated_absorpt_T_min   0.643
_shelx_estimated_absorpt_T_max   0.974
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_correction_T_min  0.6536
_exptl_absorpt_correction_T_max  0.9281
_exptl_absorpt_process_details   SADABS

_exptl_special_details           
;
 ?
;

_diffrn_ambient_temperature      153(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   microsource
_diffrn_measurement_device_type  'multilayer optic'
_diffrn_measurement_method       'CCD area detector'
_diffrn_detector_area_resol_mean 'omega scans'
_diffrn_reflns_number            71404
_diffrn_reflns_av_unetI/netI     0.0367
_diffrn_reflns_av_R_equivalents  0.0500
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_theta_min         3.073
_diffrn_reflns_theta_max         30.034
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measured_fraction_theta_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_point_group_measured_fraction_full 0.998
_reflns_number_total             12161
_reflns_number_gt                9282
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_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.
;

_computing_data_collection       'Bruker SMART'
_computing_cell_refinement       'Bruker SAINT+'
_computing_data_reduction        'Bruker SHELXTL'
_computing_structure_solution    'SHELXS-2013 (Sheldrick, 2013)'
_computing_structure_refinement  'SHELXL-2013 (Sheldrick, 2013)'
_computing_molecular_graphics    'Diamond 3.2i (Crystal Impact, 2012)'
_computing_publication_material  'Bruker SHELXTL'

_refine_special_details          
;
 ?
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0323P)²+1.5581P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         12161
_refine_ls_number_parameters     431
_refine_ls_number_restraints     42
_refine_ls_R_factor_all          0.0533
_refine_ls_R_factor_gt           0.0325
_refine_ls_wR_factor_ref         0.0785
_refine_ls_wR_factor_gt          0.0714
_refine_ls_goodness_of_fit_ref   1.031
_refine_ls_restrained_S_all      1.034
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_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
Si1 Si 0.42969(3) 0.59630(2) 0.21407(2) 0.01726(9) Uani 1 1 d . . . . .
C11 C 0.28485(12) 0.59160(9) 0.20552(8) 0.0186(3) Uani 1 1 d . . . . .
C12 C 0.20368(13) 0.57281(9) 0.24591(8) 0.0216(3) Uani 1 1 d . . . . .
H12 H 0.1365 0.5755 0.2228 0.026 Uiso 1 1 calc R U . . .
C121 C 0.19692(14) 0.54806(10) 0.32092(9) 0.0258(3) Uani 1 1 d . . . . .
C122 C 0.30326(15) 0.53662(12) 0.35554(9) 0.0330(4) Uani 1 1 d . . . . .
H12A H 0.3426 0.4975 0.3308 0.040 Uiso 1 1 calc R U . . .
H12B H 0.2935 0.5193 0.4022 0.040 Uiso 1 1 calc R U . . .
H12C H 0.3411 0.5858 0.3555 0.040 Uiso 1 1 calc R U . . .
C123 C 0.13497(18) 0.61218(13) 0.35879(11) 0.0435(5) Uani 1 1 d . . . . .
H12D H 0.1256 0.5967 0.4060 0.052 Uiso 1 1 calc R U . . .
H12E H 0.0673 0.6188 0.3370 0.052 Uiso 1 1 calc R U . . .
H12F H 0.1731 0.6611 0.3572 0.052 Uiso 1 1 calc R U . . .
C124 C 0.13427(17) 0.47088(13) 0.32359(12) 0.0432(5) Uani 1 1 d . . . . .
H12G H 0.1718 0.4303 0.2995 0.052 Uiso 1 1 calc R U . . .
H12H H 0.0665 0.4786 0.3022 0.052 Uiso 1 1 calc R U . . .
H12I H 0.1252 0.4554 0.3708 0.052 Uiso 1 1 calc R U . . .
Ga1 Ga 0.25109(2) 0.62378(2) 0.10802(2) 0.01993(5) Uani 1 1 d . . . . .
C131 C 0.16249(14) 0.72152(11) 0.09775(9) 0.0283(4) Uani 1 1 d D . . . .
C132 C 0.17780(16) 0.76724(12) 0.03106(11) 0.0395(5) Uani 1 1 d D . . . .
H13A H 0.1273 0.8094 0.0283 0.047 Uiso 1 1 calc R U . . .
H13B H 0.1680 0.7323 -0.0075 0.047 Uiso 1 1 calc R U . . .
H13C H 0.2477 0.7888 0.0303 0.047 Uiso 1 1 calc R U . . .
C133 C 0.1810(2) 0.77837(14) 0.15781(12) 0.0569(7) Uani 1 1 d D . . . .
H13D H 0.1342 0.8227 0.1534 0.068 Uiso 1 1 calc R U . . .
H13E H 0.2526 0.7966 0.1573 0.068 Uiso 1 1 calc R U . . .
H13F H 0.1678 0.7516 0.2005 0.068 Uiso 1 1 calc R U . . .
C134 C 0.04884(15) 0.69202(14) 0.09957(12) 0.0463(5) Uani 1 1 d D . . . .
H13G H 0.0370 0.6647 0.1422 0.056 Uiso 1 1 calc R U . . .
H13H H 0.0365 0.6566 0.0617 0.056 Uiso 1 1 calc R U . . .
H13I H 0.0016 0.7362 0.0960 0.056 Uiso 1 1 calc R U . . .
C141 C 0.25318(15) 0.53875(10) 0.03577(9) 0.0279(4) Uani 1 1 d . . . . .
C142 C 0.36273(17) 0.50560(11) 0.02300(10) 0.0372(4) Uani 1 1 d . . . . .
H14A H 0.3910 0.4844 0.0652 0.045 Uiso 1 1 calc R U . . .
H14B H 0.4078 0.5470 0.0067 0.045 Uiso 1 1 calc R U . . .
H14C H 0.3584 0.4644 -0.0110 0.045 Uiso 1 1 calc R U . . .
C143 C 0.20699(18) 0.56716(13) -0.03303(10) 0.0414(5) Uani 1 1 d . . . . .
H14D H 0.2046 0.5239 -0.0650 0.050 Uiso 1 1 calc R U . . .
H14E H 0.2504 0.6085 -0.0512 0.050 Uiso 1 1 calc R U . . .
H14F H 0.1370 0.5869 -0.0260 0.050 Uiso 1 1 calc R U . . .
C144 C 0.1828(2) 0.47317(13) 0.06331(12) 0.0491(6) Uani 1 1 d . . . . .
H14G H 0.1138 0.4939 0.0719 0.059 Uiso 1 1 calc R U . . .
H14H H 0.2124 0.4529 0.1055 0.059 Uiso 1 1 calc R U . . .
H14I H 0.1779 0.4314 0.0299 0.059 Uiso 1 1 calc R U . . .
C21 C 0.52285(12) 0.62573(9) 0.28358(8) 0.0208(3) Uani 1 1 d . . . . .
C22 C 0.52960(14) 0.68787(10) 0.32587(9) 0.0273(4) Uani 1 1 d . . . . .
H22 H 0.5902 0.6862 0.3558 0.033 Uiso 1 1 calc R U . . .
C221 C 0.46162(15) 0.76048(10) 0.33652(10) 0.0316(4) Uani 1 1 d . . . . .
C222 C 0.42007(19) 0.75830(13) 0.41024(11) 0.0463(5) Uani 1 1 d . . . . .
H22A H 0.3758 0.7128 0.4159 0.056 Uiso 1 1 calc R U . . .
H22B H 0.3801 0.8053 0.4190 0.056 Uiso 1 1 calc R U . . .
H22C H 0.4782 0.7554 0.4422 0.056 Uiso 1 1 calc R U . . .
C223 C 0.37020(16) 0.76545(11) 0.28565(10) 0.0343(4) Uani 1 1 d . . . . .
H22D H 0.3967 0.7655 0.2395 0.041 Uiso 1 1 calc R U . . .
H22E H 0.3314 0.8132 0.2936 0.041 Uiso 1 1 calc R U . . .
H22F H 0.3247 0.7207 0.2918 0.041 Uiso 1 1 calc R U . . .
C224 C 0.53193(19) 0.83300(12) 0.32735(14) 0.0507(6) Uani 1 1 d . . . . .
H22G H 0.5904 0.8301 0.3590 0.061 Uiso 1 1 calc R U . . .
H22H H 0.4920 0.8800 0.3363 0.061 Uiso 1 1 calc R U . . .
H22I H 0.5575 0.8345 0.2810 0.061 Uiso 1 1 calc R U . . .
Ga2 Ga 0.64996(2) 0.55520(2) 0.29148(2) 0.02489(5) Uani 1 1 d . . . . .
C231 C 0.66182(16) 0.48088(12) 0.37195(10) 0.0373(4) Uani 1 1 d D . . . .
C232 C 0.5561(6) 0.4618(6) 0.3999(6) 0.091(4) Uani 0.561(9) 1 d D U P A 1
H23A H 0.5637 0.4262 0.4381 0.109 Uiso 0.561(9) 1 calc R U P A 1
H23B H 0.5139 0.4373 0.3645 0.109 Uiso 0.561(9) 1 calc R U P A 1
H23C H 0.5225 0.5095 0.4150 0.109 Uiso 0.561(9) 1 calc R U P A 1
C233 C 0.7114(7) 0.3991(4) 0.3492(3) 0.073(2) Uani 0.561(9) 1 d D U P A 1
H23D H 0.7757 0.4086 0.3249 0.087 Uiso 0.561(9) 1 calc R U P A 1
H23E H 0.6627 0.3717 0.3195 0.087 Uiso 0.561(9) 1 calc R U P A 1
H23F H 0.7260 0.3676 0.3893 0.087 Uiso 0.561(9) 1 calc R U P A 1
C234 C 0.7349(6) 0.5144(4) 0.4240(3) 0.070(2) Uani 0.561(9) 1 d D U P A 1
H23G H 0.7388 0.4798 0.4632 0.084 Uiso 0.561(9) 1 calc R U P A 1
H23H H 0.7098 0.5653 0.4383 0.084 Uiso 0.561(9) 1 calc R U P A 1
H23I H 0.8036 0.5199 0.4044 0.084 Uiso 0.561(9) 1 calc R U P A 1
C23A C 0.5687(7) 0.4293(6) 0.3825(6) 0.060(3) Uani 0.439(9) 1 d D U P A 2
H23J H 0.5764 0.4014 0.4253 0.072 Uiso 0.439(9) 1 calc R U P A 2
H23K H 0.5632 0.3921 0.3453 0.072 Uiso 0.439(9) 1 calc R U P A 2
H23L H 0.5061 0.4612 0.3836 0.072 Uiso 0.439(9) 1 calc R U P A 2
C23B C 0.7625(5) 0.4377(5) 0.3765(5) 0.071(3) Uani 0.439(9) 1 d D U P A 2
H23M H 0.8198 0.4739 0.3704 0.085 Uiso 0.439(9) 1 calc R U P A 2
H23N H 0.7645 0.3980 0.3412 0.085 Uiso 0.439(9) 1 calc R U P A 2
H23O H 0.7687 0.4130 0.4210 0.085 Uiso 0.439(9) 1 calc R U P A 2
C23C C 0.6580(11) 0.5389(4) 0.4369(3) 0.076(3) Uani 0.439(9) 1 d D U P A 2
H23P H 0.6619 0.5085 0.4786 0.091 Uiso 0.439(9) 1 calc R U P A 2
H23Q H 0.5933 0.5683 0.4358 0.091 Uiso 0.439(9) 1 calc R U P A 2
H23R H 0.7164 0.5748 0.4353 0.091 Uiso 0.439(9) 1 calc R U P A 2
C241 C 0.77932(14) 0.60310(12) 0.24843(11) 0.0373(4) Uani 1 1 d . . . . .
C242 C 0.85855(16) 0.54026(15) 0.22789(14) 0.0520(6) Uani 1 1 d . . . . .
H24A H 0.8273 0.5059 0.1940 0.062 Uiso 1 1 calc R U . . .
H24B H 0.8787 0.5100 0.2678 0.062 Uiso 1 1 calc R U . . .
H24C H 0.9197 0.5652 0.2089 0.062 Uiso 1 1 calc R U . . .
C243 C 0.75183(17) 0.65278(15) 0.18521(14) 0.0560(7) Uani 1 1 d . . . . .
H24D H 0.8142 0.6784 0.1687 0.067 Uiso 1 1 calc R U . . .
H24E H 0.7006 0.6920 0.1974 0.067 Uiso 1 1 calc R U . . .
H24F H 0.7234 0.6193 0.1497 0.067 Uiso 1 1 calc R U . . .
C244 C 0.82952(19) 0.65751(16) 0.30277(16) 0.0641(7) Uani 1 1 d . . . . .
H24G H 0.8474 0.6273 0.3431 0.077 Uiso 1 1 calc R U . . .
H24H H 0.7805 0.6983 0.3148 0.077 Uiso 1 1 calc R U . . .
H24I H 0.8921 0.6810 0.2844 0.077 Uiso 1 1 calc R U . . .
C31 C 0.46203(12) 0.65316(10) 0.13549(8) 0.0221(3) Uani 1 1 d . . . . .
C32 C 0.48596(13) 0.69424(10) 0.08764(8) 0.0233(3) Uani 1 1 d . . . . .
C321 C 0.52240(14) 0.74641(10) 0.03134(9) 0.0263(4) Uani 1 1 d . . . . .
C322 C 0.64189(16) 0.73729(12) 0.02457(12) 0.0404(5) Uani 1 1 d . . . . .
H32A H 0.6753 0.7492 0.0680 0.049 Uiso 1 1 calc R U . . .
H32B H 0.6670 0.7730 -0.0100 0.049 Uiso 1 1 calc R U . . .
H32C H 0.6582 0.6840 0.0115 0.049 Uiso 1 1 calc R U . . .
C323 C 0.46865(18) 0.72317(13) -0.03654(10) 0.0414(5) Uani 1 1 d . . . . .
H32D H 0.4877 0.6700 -0.0483 0.050 Uiso 1 1 calc R U . . .
H32E H 0.4908 0.7584 -0.0724 0.050 Uiso 1 1 calc R U . . .
H32F H 0.3936 0.7266 -0.0316 0.050 Uiso 1 1 calc R U . . .
C324 C 0.49596(17) 0.83191(10) 0.05000(11) 0.0374(5) Uani 1 1 d . . . . .
H32G H 0.4212 0.8373 0.0549 0.045 Uiso 1 1 calc R U . . .
H32H H 0.5198 0.8665 0.0141 0.045 Uiso 1 1 calc R U . . .
H32I H 0.5304 0.8456 0.0927 0.045 Uiso 1 1 calc R U . . .
N1 N 0.47484(10) 0.49815(8) 0.19602(7) 0.0207(3) Uani 1 1 d . . . . .
C41 C 0.57947(14) 0.48083(11) 0.18280(9) 0.0276(4) Uani 1 1 d . . . . .
H41 H 0.6333 0.5188 0.1724 0.033 Uiso 1 1 calc R U . . .
C42 C 0.59341(16) 0.40043(12) 0.18701(10) 0.0365(4) Uani 1 1 d . . . . .
H42 H 0.6580 0.3723 0.1796 0.044 Uiso 1 1 calc R U . . .
C43 C 0.49653(18) 0.36705(11) 0.20395(10) 0.0377(5) Uani 1 1 d . . . . .
H43 H 0.4822 0.3119 0.2106 0.045 Uiso 1 1 calc R U . . .
C44 C 0.42563(15) 0.42798(10) 0.20940(9) 0.0272(4) Uani 1 1 d . . . . .
H44 H 0.3526 0.4222 0.2208 0.033 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
Si1 N1 1.7921(13) . ?
Si1 C11 1.8464(16) . ?
Si1 C31 1.8516(17) . ?
Si1 C21 1.8522(16) . ?
C11 C12 1.339(2) . ?
C11 Ga1 2.0096(15) . ?
C12 C121 1.517(2) . ?
C12 H12 0.9600 . ?
C121 C122 1.514(3) . ?
C121 C124 1.530(3) . ?
C121 C123 1.532(3) . ?
C122 H12A 0.9599 . ?
C122 H12B 0.9599 . ?
C122 H12C 0.9599 . ?
C123 H12D 0.9599 . ?
C123 H12E 0.9599 . ?
C123 H12F 0.9599 . ?
C124 H12G 0.9599 . ?
C124 H12H 0.9599 . ?
C124 H12I 0.9599 . ?
Ga1 C141 2.0081(17) . ?
Ga1 C131 2.0083(17) . ?
C131 C132 1.521(3) . ?
C131 C133 1.527(3) . ?
C131 C134 1.528(3) . ?
C132 H13A 0.9599 . ?
C132 H13B 0.9599 . ?
C132 H13C 0.9599 . ?
C133 H13D 0.9599 . ?
C133 H13E 0.9599 . ?
C133 H13F 0.9599 . ?
C134 H13G 0.9599 . ?
C134 H13H 0.9599 . ?
C134 H13I 0.9599 . ?
C141 C142 1.522(3) . ?
C141 C144 1.524(3) . ?
C141 C143 1.529(3) . ?
C142 H14A 0.9599 . ?
C142 H14B 0.9599 . ?
C142 H14C 0.9599 . ?
C143 H14D 0.9599 . ?
C143 H14E 0.9599 . ?
C143 H14F 0.9599 . ?
C144 H14G 0.9599 . ?
C144 H14H 0.9599 . ?
C144 H14I 0.9599 . ?
C21 C22 1.335(2) . ?
C21 Ga2 2.0114(16) . ?
C22 C221 1.517(2) . ?
C22 H22 0.9600 . ?
C221 C223 1.518(2) . ?
C221 C224 1.529(3) . ?
C221 C222 1.529(3) . ?
C222 H22A 0.9599 . ?
C222 H22B 0.9599 . ?
C222 H22C 0.9599 . ?
C223 H22D 0.9599 . ?
C223 H22E 0.9599 . ?
C223 H22F 0.9599 . ?
C224 H22G 0.9599 . ?
C224 H22H 0.9599 . ?
C224 H22I 0.9599 . ?
Ga2 C231 2.0083(19) . ?
Ga2 C241 2.0196(19) . ?
C231 C23B 1.474(6) . ?
C231 C234 1.478(5) . ?
C231 C23A 1.485(8) . ?
C231 C232 1.488(8) . ?
C231 C233 1.584(5) . ?
C231 C23C 1.597(6) . ?
C232 H23A 0.9599 . ?
C232 H23B 0.9599 . ?
C232 H23C 0.9599 . ?
C233 H23D 0.9599 . ?
C233 H23E 0.9599 . ?
C233 H23F 0.9599 . ?
C234 H23G 0.9599 . ?
C234 H23H 0.9599 . ?
C234 H23I 0.9599 . ?
C23A H23J 0.9599 . ?
C23A H23K 0.9599 . ?
C23A H23L 0.9599 . ?
C23B H23M 0.9599 . ?
C23B H23N 0.9599 . ?
C23B H23O 0.9599 . ?
C23C H23P 0.9599 . ?
C23C H23Q 0.9599 . ?
C23C H23R 0.9599 . ?
C241 C242 1.520(3) . ?
C241 C243 1.524(3) . ?
C241 C244 1.533(3) . ?
C242 H24A 0.9599 . ?
C242 H24B 0.9599 . ?
C242 H24C 0.9599 . ?
C243 H24D 0.9599 . ?
C243 H24E 0.9599 . ?
C243 H24F 0.9599 . ?
C244 H24G 0.9599 . ?
C244 H24H 0.9599 . ?
C244 H24I 0.9599 . ?
C31 C32 1.201(2) . ?
C32 C321 1.482(2) . ?
C321 C323 1.528(3) . ?
C321 C324 1.529(2) . ?
C321 C322 1.532(3) . ?
C322 H32A 0.9599 . ?
C322 H32B 0.9599 . ?
C322 H32C 0.9599 . ?
C323 H32D 0.9599 . ?
C323 H32E 0.9599 . ?
C323 H32F 0.9599 . ?
C324 H32G 0.9599 . ?
C324 H32H 0.9599 . ?
C324 H32I 0.9599 . ?
N1 C44 1.367(2) . ?
N1 C41 1.387(2) . ?
C41 C42 1.374(3) . ?
C41 H41 0.9600 . ?
C42 C43 1.396(3) . ?
C42 H42 0.9600 . ?
C43 C44 1.373(3) . ?
C43 H43 0.9600 . ?
C44 H44 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 Si1 C11 105.24(7) . . ?
N1 Si1 C31 104.27(7) . . ?
C11 Si1 C31 100.23(7) . . ?
N1 Si1 C21 100.83(7) . . ?
C11 Si1 C21 134.82(7) . . ?
C31 Si1 C21 108.29(7) . . ?
C12 C11 Si1 136.85(12) . . ?
C12 C11 Ga1 117.17(12) . . ?
Si1 C11 Ga1 105.99(7) . . ?
C11 C12 C121 132.67(15) . . ?
C11 C12 H12 113.7 . . ?
C121 C12 H12 113.7 . . ?
C122 C121 C12 113.67(14) . . ?
C122 C121 C124 109.73(16) . . ?
C12 C121 C124 107.61(15) . . ?
C122 C121 C123 109.75(16) . . ?
C12 C121 C123 107.38(15) . . ?
C124 C121 C123 108.55(16) . . ?
C121 C122 H12A 109.5 . . ?
C121 C122 H12B 109.5 . . ?
H12A C122 H12B 109.5 . . ?
C121 C122 H12C 109.5 . . ?
H12A C122 H12C 109.5 . . ?
H12B C122 H12C 109.5 . . ?
C121 C123 H12D 109.5 . . ?
C121 C123 H12E 109.5 . . ?
H12D C123 H12E 109.5 . . ?
C121 C123 H12F 109.5 . . ?
H12D C123 H12F 109.5 . . ?
H12E C123 H12F 109.5 . . ?
C121 C124 H12G 109.5 . . ?
C121 C124 H12H 109.5 . . ?
H12G C124 H12H 109.5 . . ?
C121 C124 H12I 109.5 . . ?
H12G C124 H12I 109.5 . . ?
H12H C124 H12I 109.5 . . ?
C141 Ga1 C131 122.13(7) . . ?
C141 Ga1 C11 117.27(7) . . ?
C131 Ga1 C11 115.47(7) . . ?
C132 C131 C133 107.96(17) . . ?
C132 C131 C134 108.34(15) . . ?
C133 C131 C134 109.03(18) . . ?
C132 C131 Ga1 115.24(13) . . ?
C133 C131 Ga1 111.19(12) . . ?
C134 C131 Ga1 104.90(13) . . ?
C131 C132 H13A 109.5 . . ?
C131 C132 H13B 109.5 . . ?
H13A C132 H13B 109.5 . . ?
C131 C132 H13C 109.5 . . ?
H13A C132 H13C 109.5 . . ?
H13B C132 H13C 109.5 . . ?
C131 C133 H13D 109.5 . . ?
C131 C133 H13E 109.5 . . ?
H13D C133 H13E 109.5 . . ?
C131 C133 H13F 109.5 . . ?
H13D C133 H13F 109.5 . . ?
H13E C133 H13F 109.5 . . ?
C131 C134 H13G 109.5 . . ?
C131 C134 H13H 109.5 . . ?
H13G C134 H13H 109.5 . . ?
C131 C134 H13I 109.5 . . ?
H13G C134 H13I 109.5 . . ?
H13H C134 H13I 109.5 . . ?
C142 C141 C144 109.17(17) . . ?
C142 C141 C143 108.46(16) . . ?
C144 C141 C143 108.28(17) . . ?
C142 C141 Ga1 113.33(12) . . ?
C144 C141 Ga1 105.36(13) . . ?
C143 C141 Ga1 112.08(12) . . ?
C141 C142 H14A 109.5 . . ?
C141 C142 H14B 109.5 . . ?
H14A C142 H14B 109.5 . . ?
C141 C142 H14C 109.5 . . ?
H14A C142 H14C 109.5 . . ?
H14B C142 H14C 109.5 . . ?
C141 C143 H14D 109.5 . . ?
C141 C143 H14E 109.5 . . ?
H14D C143 H14E 109.5 . . ?
C141 C143 H14F 109.5 . . ?
H14D C143 H14F 109.5 . . ?
H14E C143 H14F 109.5 . . ?
C141 C144 H14G 109.5 . . ?
C141 C144 H14H 109.5 . . ?
H14G C144 H14H 109.5 . . ?
C141 C144 H14I 109.5 . . ?
H14G C144 H14I 109.5 . . ?
H14H C144 H14I 109.5 . . ?
C22 C21 Si1 134.02(13) . . ?
C22 C21 Ga2 111.94(12) . . ?
Si1 C21 Ga2 113.70(8) . . ?
C21 C22 C221 133.48(16) . . ?
C21 C22 H22 113.3 . . ?
C221 C22 H22 113.3 . . ?
C22 C221 C223 112.88(14) . . ?
C22 C221 C224 107.47(16) . . ?
C223 C221 C224 108.88(17) . . ?
C22 C221 C222 108.07(16) . . ?
C223 C221 C222 109.88(17) . . ?
C224 C221 C222 109.61(17) . . ?
C221 C222 H22A 109.5 . . ?
C221 C222 H22B 109.5 . . ?
H22A C222 H22B 109.5 . . ?
C221 C222 H22C 109.5 . . ?
H22A C222 H22C 109.5 . . ?
H22B C222 H22C 109.5 . . ?
C221 C223 H22D 109.5 . . ?
C221 C223 H22E 109.5 . . ?
H22D C223 H22E 109.5 . . ?
C221 C223 H22F 109.5 . . ?
H22D C223 H22F 109.5 . . ?
H22E C223 H22F 109.5 . . ?
C221 C224 H22G 109.5 . . ?
C221 C224 H22H 109.5 . . ?
H22G C224 H22H 109.5 . . ?
C221 C224 H22I 109.5 . . ?
H22G C224 H22I 109.5 . . ?
H22H C224 H22I 109.5 . . ?
C231 Ga2 C21 118.95(7) . . ?
C231 Ga2 C241 121.16(8) . . ?
C21 Ga2 C241 112.70(7) . . ?
C23B C231 C23A 113.1(5) . . ?
C234 C231 C232 113.4(5) . . ?
C234 C231 C233 106.1(4) . . ?
C232 C231 C233 105.9(5) . . ?
C23B C231 C23C 106.9(5) . . ?
C23A C231 C23C 102.8(6) . . ?
C23B C231 Ga2 114.5(3) . . ?
C234 C231 Ga2 109.4(3) . . ?
C23A C231 Ga2 114.9(4) . . ?
C232 C231 Ga2 111.0(4) . . ?
C233 C231 Ga2 110.9(2) . . ?
C23C C231 Ga2 103.0(2) . . ?
C231 C232 H23A 109.5 . . ?
C231 C232 H23B 109.5 . . ?
H23A C232 H23B 109.5 . . ?
C231 C232 H23C 109.5 . . ?
H23A C232 H23C 109.5 . . ?
H23B C232 H23C 109.5 . . ?
C231 C233 H23D 109.5 . . ?
C231 C233 H23E 109.5 . . ?
H23D C233 H23E 109.5 . . ?
C231 C233 H23F 109.5 . . ?
H23D C233 H23F 109.5 . . ?
H23E C233 H23F 109.5 . . ?
C231 C234 H23G 109.5 . . ?
C231 C234 H23H 109.5 . . ?
H23G C234 H23H 109.5 . . ?
C231 C234 H23I 109.5 . . ?
H23G C234 H23I 109.5 . . ?
H23H C234 H23I 109.5 . . ?
C231 C23A H23J 109.5 . . ?
C231 C23A H23K 109.5 . . ?
H23J C23A H23K 109.5 . . ?
C231 C23A H23L 109.5 . . ?
H23J C23A H23L 109.5 . . ?
H23K C23A H23L 109.5 . . ?
C231 C23B H23M 109.5 . . ?
C231 C23B H23N 109.5 . . ?
H23M C23B H23N 109.5 . . ?
C231 C23B H23O 109.5 . . ?
H23M C23B H23O 109.5 . . ?
H23N C23B H23O 109.5 . . ?
C231 C23C H23P 109.5 . . ?
C231 C23C H23Q 109.5 . . ?
H23P C23C H23Q 109.5 . . ?
C231 C23C H23R 109.5 . . ?
H23P C23C H23R 109.5 . . ?
H23Q C23C H23R 109.5 . . ?
C242 C241 C243 108.8(2) . . ?
C242 C241 C244 109.18(18) . . ?
C243 C241 C244 108.2(2) . . ?
C242 C241 Ga2 111.78(14) . . ?
C243 C241 Ga2 111.91(13) . . ?
C244 C241 Ga2 106.92(16) . . ?
C241 C242 H24A 109.5 . . ?
C241 C242 H24B 109.5 . . ?
H24A C242 H24B 109.5 . . ?
C241 C242 H24C 109.5 . . ?
H24A C242 H24C 109.5 . . ?
H24B C242 H24C 109.5 . . ?
C241 C243 H24D 109.5 . . ?
C241 C243 H24E 109.5 . . ?
H24D C243 H24E 109.5 . . ?
C241 C243 H24F 109.5 . . ?
H24D C243 H24F 109.5 . . ?
H24E C243 H24F 109.5 . . ?
C241 C244 H24G 109.5 . . ?
C241 C244 H24H 109.5 . . ?
H24G C244 H24H 109.5 . . ?
C241 C244 H24I 109.5 . . ?
H24G C244 H24I 109.5 . . ?
H24H C244 H24I 109.5 . . ?
C32 C31 Si1 175.22(15) . . ?
C31 C32 C321 175.93(18) . . ?
C32 C321 C323 109.97(14) . . ?
C32 C321 C324 108.54(14) . . ?
C323 C321 C324 110.49(16) . . ?
C32 C321 C322 108.68(15) . . ?
C323 C321 C322 109.53(16) . . ?
C324 C321 C322 109.61(15) . . ?
C321 C322 H32A 109.5 . . ?
C321 C322 H32B 109.5 . . ?
H32A C322 H32B 109.5 . . ?
C321 C322 H32C 109.5 . . ?
H32A C322 H32C 109.5 . . ?
H32B C322 H32C 109.5 . . ?
C321 C323 H32D 109.5 . . ?
C321 C323 H32E 109.5 . . ?
H32D C323 H32E 109.5 . . ?
C321 C323 H32F 109.5 . . ?
H32D C323 H32F 109.5 . . ?
H32E C323 H32F 109.5 . . ?
C321 C324 H32G 109.5 . . ?
C321 C324 H32H 109.5 . . ?
H32G C324 H32H 109.5 . . ?
C321 C324 H32I 109.5 . . ?
H32G C324 H32I 109.5 . . ?
H32H C324 H32I 109.5 . . ?
C44 N1 C41 106.99(14) . . ?
C44 N1 Si1 128.27(12) . . ?
C41 N1 Si1 122.74(11) . . ?
C42 C41 N1 108.73(16) . . ?
C42 C41 H41 125.6 . . ?
N1 C41 H41 125.6 . . ?
C41 C42 C43 107.52(17) . . ?
C41 C42 H42 126.2 . . ?
C43 C42 H42 126.2 . . ?
C44 C43 C42 107.14(17) . . ?
C44 C43 H43 126.4 . . ?
C42 C43 H43 126.4 . . ?
N1 C44 C43 109.61(17) . . ?
N1 C44 H44 125.2 . . ?
C43 C44 H44 125.2 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
N1 Si1 C11 C12 85.85(18) . . . . ?
C31 Si1 C11 C12 -166.17(18) . . . . ?
C21 Si1 C11 C12 -37.2(2) . . . . ?
N1 Si1 C11 Ga1 -93.73(8) . . . . ?
C31 Si1 C11 Ga1 14.25(9) . . . . ?
C21 Si1 C11 Ga1 143.22(8) . . . . ?
Si1 C11 C12 C121 2.0(3) . . . . ?
Ga1 C11 C12 C121 -178.44(14) . . . . ?
C11 C12 C121 C122 -5.2(3) . . . . ?
C11 C12 C121 C124 -126.9(2) . . . . ?
C11 C12 C121 C123 116.4(2) . . . . ?
N1 Si1 C21 C22 -172.29(18) . . . . ?
C11 Si1 C21 C22 -47.7(2) . . . . ?
C31 Si1 C21 C22 78.60(19) . . . . ?
N1 Si1 C21 Ga2 15.15(9) . . . . ?
C11 Si1 C21 Ga2 139.73(9) . . . . ?
C31 Si1 C21 Ga2 -93.96(9) . . . . ?
Si1 C21 C22 C221 2.0(3) . . . . ?
Ga2 C21 C22 C221 174.67(18) . . . . ?
C21 C22 C221 C223 -4.0(3) . . . . ?
C21 C22 C221 C224 -124.0(2) . . . . ?
C21 C22 C221 C222 117.7(2) . . . . ?
C11 Si1 N1 C44 -32.36(16) . . . . ?
C31 Si1 N1 C44 -137.39(15) . . . . ?
C21 Si1 N1 C44 110.38(15) . . . . ?
C11 Si1 N1 C41 165.90(13) . . . . ?
C31 Si1 N1 C41 60.88(14) . . . . ?
C21 Si1 N1 C41 -51.35(14) . . . . ?
C44 N1 C41 C42 1.0(2) . . . . ?
Si1 N1 C41 C42 166.04(13) . . . . ?
N1 C41 C42 C43 -0.7(2) . . . . ?
C41 C42 C43 C44 0.2(2) . . . . ?
C41 N1 C44 C43 -0.8(2) . . . . ?
Si1 N1 C44 C43 -164.81(13) . . . . ?
C42 C43 C44 N1 0.4(2) . . . . ?

_refine_diff_density_max         0.514
_refine_diff_density_min         -0.243
_refine_diff_density_rms         0.059

_shelxl_version_number           2013-4

_database_code_depnum_ccdc_archive 'CCDC 992857'
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#  to carry out CIF format checking respectively.
#
data_sad

_audit_creation_method           SHELXL-2013
_chemical_name_systematic        
;
 ?
;
_chemical_name_common            ?
_chemical_melting_point          400
_chemical_formula_moiety         ?
_chemical_formula_sum            'C30 H54 Al N Si'
_chemical_formula_weight         483.81

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'
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'

_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_H-M_alt        'C 2/c'
_space_group_name_Hall           '-C 2yc'

_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.
;

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

_cell_length_a                   28.5934(12)
_cell_length_b                   15.1324(6)
_cell_length_c                   18.5944(8)
_cell_angle_alpha                90
_cell_angle_beta                 124.7460(10)
_cell_angle_gamma                90
_cell_volume                     6610.9(5)
_cell_formula_units_Z            8
_cell_measurement_temperature    153(2)
_cell_measurement_reflns_used    ?
_cell_measurement_theta_min      2.53
_cell_measurement_theta_max      29.56

_exptl_crystal_description       block
_exptl_crystal_colour            colourless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    0.972
_exptl_crystal_F_000             2144
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.300
_exptl_crystal_size_mid          0.300
_exptl_crystal_size_min          0.300
_exptl_absorpt_coefficient_mu    0.113
_shelx_estimated_absorpt_T_min   0.967
_shelx_estimated_absorpt_T_max   0.967
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_correction_T_min  0.9658
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_process_details   SADABS

_exptl_special_details           
;
 ?
;

_diffrn_ambient_temperature      153(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   microsource
_diffrn_measurement_device_type  'Venture Mo multilayer optic'
_diffrn_measurement_method       'Photon 100 CMOS-detector'
_diffrn_detector_area_resol_mean 'omega scans'
_diffrn_reflns_number            43426
_diffrn_reflns_av_unetI/netI     0.0226
_diffrn_reflns_av_R_equivalents  0.0249
_diffrn_reflns_limit_h_min       -39
_diffrn_reflns_limit_h_max       39
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_theta_min         2.653
_diffrn_reflns_theta_max         29.571
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measured_fraction_theta_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.996
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.996
_diffrn_reflns_point_group_measured_fraction_full 0.998
_reflns_number_total             9237
_reflns_number_gt                7527
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_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.
;

_computing_data_collection       'Bruker SMART'
_computing_cell_refinement       'Bruker SAINT+'
_computing_data_reduction        'Bruker SHELXTL'
_computing_structure_solution    'SHELXS-2013 (Sheldrick, 2013)'
_computing_structure_refinement  'SHELXL-2013 (Sheldrick, 2013)'
_computing_molecular_graphics    'Diamond 3.2i (Crystal Impact, 2012)'
_computing_publication_material  'Bruker SHELXTL'

_refine_special_details          
;
 ?
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0750P)²+4.4722P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         9237
_refine_ls_number_parameters     344
_refine_ls_number_restraints     36
_refine_ls_R_factor_all          0.0625
_refine_ls_R_factor_gt           0.0487
_refine_ls_wR_factor_ref         0.1428
_refine_ls_wR_factor_gt          0.1328
_refine_ls_goodness_of_fit_ref   1.034
_refine_ls_restrained_S_all      1.036
_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_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
Si1 Si 0.17768(2) 0.75925(2) 0.20706(2) 0.02320(9) Uani 1 1 d . . . . .
C11 C 0.13028(5) 0.84532(9) 0.13170(8) 0.0266(2) Uani 1 1 d . . . . .
C12 C 0.09055(6) 0.89798(9) 0.12558(9) 0.0308(3) Uani 1 1 d . . . . .
H12 H 0.0722 0.9359 0.0752 0.037 Uiso 1 1 calc R U . . .
C121 C 0.06909(6) 0.90910(10) 0.18301(9) 0.0334(3) Uani 1 1 d . . . . .
C122 C 0.10140(9) 0.85452(14) 0.26582(13) 0.0572(5) Uani 1 1 d . . . . .
H12A H 0.0971 0.7929 0.2509 0.069 Uiso 1 1 calc R U . . .
H12B H 0.0866 0.8659 0.3001 0.069 Uiso 1 1 calc R U . . .
H12C H 0.1410 0.8701 0.2990 0.069 Uiso 1 1 calc R U . . .
C123 C 0.07463(10) 1.00659(13) 0.20838(15) 0.0623(5) Uani 1 1 d . . . . .
H12D H 0.1142 1.0220 0.2465 0.075 Uiso 1 1 calc R U . . .
H12E H 0.0565 1.0165 0.2380 0.075 Uiso 1 1 calc R U . . .
H12F H 0.0567 1.0424 0.1566 0.075 Uiso 1 1 calc R U . . .
C124 C 0.00631(8) 0.8847(2) 0.12775(16) 0.0797(8) Uani 1 1 d . . . . .
H12G H -0.0127 0.9163 0.0733 0.096 Uiso 1 1 calc R U . . .
H12H H -0.0103 0.9002 0.1586 0.096 Uiso 1 1 calc R U . . .
H12I H 0.0023 0.8223 0.1164 0.096 Uiso 1 1 calc R U . . .
Al1 Al 0.15294(2) 0.82571(3) 0.04913(2) 0.02496(10) Uani 1 1 d . . . . .
C131 C 0.09242(7) 0.76528(11) -0.06323(10) 0.0400(3) Uani 1 1 d . . . . .
C132 C 0.10929(11) 0.74352(19) -0.12508(15) 0.0809(8) Uani 1 1 d . . . . .
H13A H 0.0767 0.7217 -0.1793 0.097 Uiso 1 1 calc R U . . .
H13B H 0.1385 0.6992 -0.0992 0.097 Uiso 1 1 calc R U . . .
H13C H 0.1233 0.7958 -0.1360 0.097 Uiso 1 1 calc R U . . .
C133 C 0.04406(10) 0.83225(19) -0.10993(14) 0.0925(10) Uani 1 1 d . . . . .
H13D H 0.0567 0.8836 -0.1245 0.111 Uiso 1 1 calc R U . . .
H13E H 0.0327 0.8489 -0.0722 0.111 Uiso 1 1 calc R U . . .
H13F H 0.0123 0.8064 -0.1625 0.111 Uiso 1 1 calc R U . . .
C134 C 0.06768(12) 0.6827(2) -0.05153(18) 0.1068(12) Uani 1 1 d . . . . .
H13G H 0.0573 0.6946 -0.0117 0.128 Uiso 1 1 calc R U . . .
H13H H 0.0955 0.6363 -0.0284 0.128 Uiso 1 1 calc R U . . .
H13I H 0.0346 0.6649 -0.1071 0.128 Uiso 1 1 calc R U . . .
C141 C 0.19295(7) 0.92968(10) 0.03890(10) 0.0376(3) Uani 1 1 d D . . . .
C142 C 0.2283(3) 0.9077(6) 0.0033(5) 0.0586(16) Uani 0.549(10) 1 d D U P A -1
H14A H 0.2050 0.8766 -0.0512 0.070 Uiso 0.549(10) 1 calc R U P A -1
H14B H 0.2600 0.8714 0.0446 0.070 Uiso 0.549(10) 1 calc R U P A -1
H14C H 0.2420 0.9614 -0.0061 0.070 Uiso 0.549(10) 1 calc R U P A -1
C143 C 0.2265(3) 0.9799(3) 0.1219(3) 0.0507(12) Uani 0.549(10) 1 d D U P A -1
H14D H 0.2398 1.0339 0.1124 0.061 Uiso 0.549(10) 1 calc R U P A -1
H14E H 0.2584 0.9451 0.1651 0.061 Uiso 0.549(10) 1 calc R U P A -1
H14F H 0.2029 0.9932 0.1420 0.061 Uiso 0.549(10) 1 calc R U P A -1
C144 C 0.1446(2) 0.9925(3) -0.0294(4) 0.0573(12) Uani 0.549(10) 1 d D U P A -1
H14G H 0.1610 1.0456 -0.0342 0.069 Uiso 0.549(10) 1 calc R U P A -1
H14H H 0.1204 1.0070 -0.0107 0.069 Uiso 0.549(10) 1 calc R U P A -1
H14I H 0.1226 0.9635 -0.0852 0.069 Uiso 0.549(10) 1 calc R U P A -1
C14A C 0.2071(5) 0.9207(8) -0.0273(6) 0.066(2) Uani 0.451(10) 1 d D U P A -2
H14J H 0.1730 0.9082 -0.0838 0.079 Uiso 0.451(10) 1 calc R U P A -2
H14K H 0.2338 0.8734 -0.0104 0.079 Uiso 0.451(10) 1 calc R U P A -2
H14L H 0.2235 0.9749 -0.0300 0.079 Uiso 0.451(10) 1 calc R U P A -2
C14B C 0.2511(3) 0.9561(4) 0.1282(4) 0.0628(17) Uani 0.451(10) 1 d D U P A -2
H14M H 0.2621 1.0145 0.1231 0.075 Uiso 0.451(10) 1 calc R U P A -2
H14N H 0.2803 0.9149 0.1404 0.075 Uiso 0.451(10) 1 calc R U P A -2
H14O H 0.2461 0.9549 0.1750 0.075 Uiso 0.451(10) 1 calc R U P A -2
C14C C 0.1558(3) 1.0119(4) 0.0183(7) 0.069(2) Uani 0.451(10) 1 d D U P A -2
H14P H 0.1747 1.0628 0.0154 0.083 Uiso 0.451(10) 1 calc R U P A -2
H14Q H 0.1497 1.0202 0.0635 0.083 Uiso 0.451(10) 1 calc R U P A -2
H14R H 0.1199 1.0041 -0.0369 0.083 Uiso 0.451(10) 1 calc R U P A -2
C21 C 0.23653(6) 0.78699(9) 0.31812(9) 0.0294(3) Uani 1 1 d . . . . .
C22 C 0.27734(6) 0.80503(9) 0.38959(9) 0.0303(3) Uani 1 1 d . . . . .
C221 C 0.32879(6) 0.82758(10) 0.47682(9) 0.0373(3) Uani 1 1 d D . . . .
C222 C 0.34077(7) 0.92628(10) 0.47928(11) 0.0422(3) Uani 1 1 d D . . . .
H22A H 0.3440 0.9408 0.4320 0.051 Uiso 1 1 calc R U . . .
H22B H 0.3757 0.9406 0.5340 0.051 Uiso 1 1 calc R U . . .
H22C H 0.3102 0.9594 0.4734 0.051 Uiso 1 1 calc R U . . .
C223 C 0.31886(10) 0.80526(15) 0.54755(11) 0.0672(6) Uani 1 1 d D . . . .
H22D H 0.2865 0.8376 0.5366 0.081 Uiso 1 1 calc R U . . .
H22E H 0.3519 0.8212 0.6039 0.081 Uiso 1 1 calc R U . . .
H22F H 0.3119 0.7430 0.5463 0.081 Uiso 1 1 calc R U . . .
C224 C 0.37891(8) 0.77485(14) 0.49016(16) 0.0714(7) Uani 1 1 d D . . . .
H22G H 0.3715 0.7128 0.4889 0.086 Uiso 1 1 calc R U . . .
H22H H 0.4130 0.7900 0.5457 0.086 Uiso 1 1 calc R U . . .
H22I H 0.3836 0.7888 0.4442 0.086 Uiso 1 1 calc R U . . .
C31 C 0.14256(6) 0.65912(9) 0.20741(9) 0.0295(3) Uani 1 1 d . . . . .
C32 C 0.11328(5) 0.59834(9) 0.20081(8) 0.0291(3) Uani 1 1 d . . . . .
C321 C 0.07553(6) 0.52528(10) 0.18914(10) 0.0349(3) Uani 1 1 d . . . . .
C322 C 0.08860(9) 0.44352(14) 0.15553(17) 0.0685(6) Uani 1 1 d . . . . .
H32A H 0.0829 0.4568 0.1006 0.082 Uiso 1 1 calc R U . . .
H32B H 0.0637 0.3962 0.1477 0.082 Uiso 1 1 calc R U . . .
H32C H 0.1274 0.4261 0.1972 0.082 Uiso 1 1 calc R U . . .
C323 C 0.08425(11) 0.50427(16) 0.27623(15) 0.0709(6) Uani 1 1 d . . . . .
H32D H 0.1231 0.4870 0.3182 0.085 Uiso 1 1 calc R U . . .
H32E H 0.0594 0.4569 0.2683 0.085 Uiso 1 1 calc R U . . .
H32F H 0.0758 0.5557 0.2971 0.085 Uiso 1 1 calc R U . . .
C324 C 0.01391(8) 0.55398(16) 0.12356(17) 0.0724(6) Uani 1 1 d . . . . .
H32G H 0.0059 0.6046 0.1459 0.087 Uiso 1 1 calc R U . . .
H32H H -0.0112 0.5065 0.1146 0.087 Uiso 1 1 calc R U . . .
H32I H 0.0083 0.5689 0.0690 0.087 Uiso 1 1 calc R U . . .
N1 N 0.20830(5) 0.73525(7) 0.14514(7) 0.0259(2) Uani 1 1 d . . . . .
C41 C 0.20498(7) 0.64129(9) 0.11698(10) 0.0373(3) Uani 1 1 d . . . . .
H41A H 0.2052 0.6386 0.0656 0.045 Uiso 1 1 calc R U . . .
H41B H 0.1709 0.6136 0.1045 0.045 Uiso 1 1 calc R U . . .
C42 C 0.25732(9) 0.59618(14) 0.19350(14) 0.0603(5) Uani 1 1 d . . . . .
H42A H 0.2709 0.5512 0.1733 0.072 Uiso 1 1 calc R U . . .
H42B H 0.2490 0.5697 0.2319 0.072 Uiso 1 1 calc R U . . .
C43 C 0.30125(8) 0.66943(15) 0.24014(13) 0.0609(6) Uani 1 1 d . . . . .
H43A H 0.3334 0.6588 0.2377 0.073 Uiso 1 1 calc R U . . .
H43B H 0.3142 0.6731 0.3004 0.073 Uiso 1 1 calc R U . . .
C44 C 0.27070(6) 0.75435(12) 0.19147(10) 0.0398(3) Uani 1 1 d . . . . .
H44A H 0.2819 0.8025 0.2318 0.048 Uiso 1 1 calc R U . . .
H44B H 0.2794 0.7694 0.1502 0.048 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
Si1 C21 1.8197(14) . ?
Si1 C31 1.8198(14) . ?
Si1 C11 1.8254(13) . ?
Si1 N1 1.8368(11) . ?
Si1 Al1 2.7872(5) . ?
C11 C12 1.3382(18) . ?
C11 Al1 2.0000(13) . ?
C12 C121 1.5139(18) . ?
C12 H12 0.9600 . ?
C121 C122 1.512(2) . ?
C121 C124 1.520(2) . ?
C121 C123 1.529(2) . ?
C122 H12A 0.9599 . ?
C122 H12B 0.9599 . ?
C122 H12C 0.9599 . ?
C123 H12D 0.9599 . ?
C123 H12E 0.9599 . ?
C123 H12F 0.9599 . ?
C124 H12G 0.9599 . ?
C124 H12H 0.9599 . ?
C124 H12I 0.9599 . ?
Al1 C141 2.0169(15) . ?
Al1 C131 2.0185(15) . ?
Al1 N1 2.0847(11) . ?
C131 C134 1.511(3) . ?
C131 C132 1.515(3) . ?
C131 C133 1.525(3) . ?
C132 H13A 0.9599 . ?
C132 H13B 0.9599 . ?
C132 H13C 0.9599 . ?
C133 H13D 0.9599 . ?
C133 H13E 0.9599 . ?
C133 H13F 0.9599 . ?
C134 H13G 0.9599 . ?
C134 H13H 0.9599 . ?
C134 H13I 0.9599 . ?
C141 C143 1.480(4) . ?
C141 C14A 1.505(8) . ?
C141 C142 1.527(7) . ?
C141 C14C 1.536(5) . ?
C141 C144 1.557(4) . ?
C141 C14B 1.592(6) . ?
C142 H14A 0.9599 . ?
C142 H14B 0.9599 . ?
C142 H14C 0.9599 . ?
C143 H14D 0.9599 . ?
C143 H14E 0.9599 . ?
C143 H14F 0.9599 . ?
C144 H14G 0.9599 . ?
C144 H14H 0.9599 . ?
C144 H14I 0.9599 . ?
C14A H14J 0.9599 . ?
C14A H14K 0.9599 . ?
C14A H14L 0.9599 . ?
C14B H14M 0.9599 . ?
C14B H14N 0.9599 . ?
C14B H14O 0.9599 . ?
C14C H14P 0.9599 . ?
C14C H14Q 0.9599 . ?
C14C H14R 0.9599 . ?
C21 C22 1.1977(19) . ?
C22 C221 1.4804(19) . ?
C221 C222 1.527(2) . ?
C221 C224 1.532(3) . ?
C221 C223 1.533(2) . ?
C222 H22A 0.9599 . ?
C222 H22B 0.9599 . ?
C222 H22C 0.9599 . ?
C223 H22D 0.9599 . ?
C223 H22E 0.9599 . ?
C223 H22F 0.9599 . ?
C224 H22G 0.9599 . ?
C224 H22H 0.9599 . ?
C224 H22I 0.9599 . ?
C31 C32 1.2019(19) . ?
C32 C321 1.4722(19) . ?
C321 C323 1.525(3) . ?
C321 C322 1.526(2) . ?
C321 C324 1.527(2) . ?
C322 H32A 0.9599 . ?
C322 H32B 0.9599 . ?
C322 H32C 0.9599 . ?
C323 H32D 0.9599 . ?
C323 H32E 0.9599 . ?
C323 H32F 0.9599 . ?
C324 H32G 0.9599 . ?
C324 H32H 0.9599 . ?
C324 H32I 0.9599 . ?
N1 C41 1.4993(17) . ?
N1 C44 1.5024(17) . ?
C41 C42 1.518(2) . ?
C41 H41A 0.9600 . ?
C41 H41B 0.9600 . ?
C42 C43 1.522(3) . ?
C42 H42A 0.9600 . ?
C42 H42B 0.9600 . ?
C43 C44 1.527(3) . ?
C43 H43A 0.9600 . ?
C43 H43B 0.9600 . ?
C44 H44A 0.9600 . ?
C44 H44B 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
C21 Si1 C31 110.08(6) . . ?
C21 Si1 C11 120.55(6) . . ?
C31 Si1 C11 115.28(6) . . ?
C21 Si1 N1 107.10(6) . . ?
C31 Si1 N1 107.38(6) . . ?
C11 Si1 N1 94.05(5) . . ?
C21 Si1 Al1 128.87(5) . . ?
C31 Si1 Al1 119.67(4) . . ?
C11 Si1 Al1 45.75(4) . . ?
N1 Si1 Al1 48.41(4) . . ?
C12 C11 Si1 135.48(10) . . ?
C12 C11 Al1 130.83(10) . . ?
Si1 C11 Al1 93.43(6) . . ?
C11 C12 C121 132.21(13) . . ?
C11 C12 H12 113.9 . . ?
C121 C12 H12 113.9 . . ?
C122 C121 C12 113.57(12) . . ?
C122 C121 C124 110.89(17) . . ?
C12 C121 C124 107.06(13) . . ?
C122 C121 C123 108.49(15) . . ?
C12 C121 C123 108.21(13) . . ?
C124 C121 C123 108.49(17) . . ?
C121 C122 H12A 109.5 . . ?
C121 C122 H12B 109.5 . . ?
H12A C122 H12B 109.5 . . ?
C121 C122 H12C 109.5 . . ?
H12A C122 H12C 109.5 . . ?
H12B C122 H12C 109.5 . . ?
C121 C123 H12D 109.5 . . ?
C121 C123 H12E 109.5 . . ?
H12D C123 H12E 109.5 . . ?
C121 C123 H12F 109.5 . . ?
H12D C123 H12F 109.5 . . ?
H12E C123 H12F 109.5 . . ?
C121 C124 H12G 109.5 . . ?
C121 C124 H12H 109.5 . . ?
H12G C124 H12H 109.5 . . ?
C121 C124 H12I 109.5 . . ?
H12G C124 H12I 109.5 . . ?
H12H C124 H12I 109.5 . . ?
C11 Al1 C141 113.96(6) . . ?
C11 Al1 C131 113.58(6) . . ?
C141 Al1 C131 116.97(7) . . ?
C11 Al1 N1 81.96(5) . . ?
C141 Al1 N1 113.47(6) . . ?
C131 Al1 N1 111.93(6) . . ?
C11 Al1 Si1 40.83(4) . . ?
C141 Al1 Si1 124.32(5) . . ?
C131 Al1 Si1 118.69(5) . . ?
N1 Al1 Si1 41.22(3) . . ?
C134 C131 C132 107.9(2) . . ?
C134 C131 C133 106.5(2) . . ?
C132 C131 C133 106.85(18) . . ?
C134 C131 Al1 114.90(13) . . ?
C132 C131 Al1 115.34(13) . . ?
C133 C131 Al1 104.63(12) . . ?
C131 C132 H13A 109.5 . . ?
C131 C132 H13B 109.5 . . ?
H13A C132 H13B 109.5 . . ?
C131 C132 H13C 109.5 . . ?
H13A C132 H13C 109.5 . . ?
H13B C132 H13C 109.5 . . ?
C131 C133 H13D 109.5 . . ?
C131 C133 H13E 109.5 . . ?
H13D C133 H13E 109.5 . . ?
C131 C133 H13F 109.5 . . ?
H13D C133 H13F 109.5 . . ?
H13E C133 H13F 109.5 . . ?
C131 C134 H13G 109.5 . . ?
C131 C134 H13H 109.5 . . ?
H13G C134 H13H 109.5 . . ?
C131 C134 H13I 109.5 . . ?
H13G C134 H13I 109.5 . . ?
H13H C134 H13I 109.5 . . ?
C143 C141 C142 111.6(4) . . ?
C14A C141 C14C 109.8(5) . . ?
C143 C141 C144 106.5(3) . . ?
C142 C141 C144 106.2(3) . . ?
C14A C141 C14B 105.5(4) . . ?
C14C C141 C14B 102.7(4) . . ?
C143 C141 Al1 111.52(19) . . ?
C14A C141 Al1 116.0(5) . . ?
C142 C141 Al1 115.0(4) . . ?
C14C C141 Al1 107.9(2) . . ?
C144 C141 Al1 105.36(19) . . ?
C14B C141 Al1 114.1(2) . . ?
C141 C142 H14A 109.5 . . ?
C141 C142 H14B 109.5 . . ?
H14A C142 H14B 109.5 . . ?
C141 C142 H14C 109.5 . . ?
H14A C142 H14C 109.5 . . ?
H14B C142 H14C 109.5 . . ?
C141 C143 H14D 109.5 . . ?
C141 C143 H14E 109.5 . . ?
H14D C143 H14E 109.5 . . ?
C141 C143 H14F 109.5 . . ?
H14D C143 H14F 109.5 . . ?
H14E C143 H14F 109.5 . . ?
C141 C144 H14G 109.5 . . ?
C141 C144 H14H 109.5 . . ?
H14G C144 H14H 109.5 . . ?
C141 C144 H14I 109.5 . . ?
H14G C144 H14I 109.5 . . ?
H14H C144 H14I 109.5 . . ?
C141 C14A H14J 109.5 . . ?
C141 C14A H14K 109.5 . . ?
H14J C14A H14K 109.5 . . ?
C141 C14A H14L 109.5 . . ?
H14J C14A H14L 109.5 . . ?
H14K C14A H14L 109.5 . . ?
C141 C14B H14M 109.5 . . ?
C141 C14B H14N 109.5 . . ?
H14M C14B H14N 109.5 . . ?
C141 C14B H14O 109.5 . . ?
H14M C14B H14O 109.5 . . ?
H14N C14B H14O 109.5 . . ?
C141 C14C H14P 109.5 . . ?
C141 C14C H14Q 109.5 . . ?
H14P C14C H14Q 109.5 . . ?
C141 C14C H14R 109.5 . . ?
H14P C14C H14R 109.5 . . ?
H14Q C14C H14R 109.5 . . ?
C22 C21 Si1 176.15(12) . . ?
C21 C22 C221 178.30(15) . . ?
C22 C221 C222 108.91(12) . . ?
C22 C221 C224 108.12(14) . . ?
C222 C221 C224 109.34(14) . . ?
C22 C221 C223 109.57(13) . . ?
C222 C221 C223 109.75(15) . . ?
C224 C221 C223 111.10(17) . . ?
C221 C222 H22A 109.5 . . ?
C221 C222 H22B 109.5 . . ?
H22A C222 H22B 109.5 . . ?
C221 C222 H22C 109.5 . . ?
H22A C222 H22C 109.5 . . ?
H22B C222 H22C 109.5 . . ?
C221 C223 H22D 109.5 . . ?
C221 C223 H22E 109.5 . . ?
H22D C223 H22E 109.5 . . ?
C221 C223 H22F 109.5 . . ?
H22D C223 H22F 109.5 . . ?
H22E C223 H22F 109.5 . . ?
C221 C224 H22G 109.5 . . ?
C221 C224 H22H 109.5 . . ?
H22G C224 H22H 109.5 . . ?
C221 C224 H22I 109.5 . . ?
H22G C224 H22I 109.5 . . ?
H22H C224 H22I 109.5 . . ?
C32 C31 Si1 172.05(12) . . ?
C31 C32 C321 177.63(15) . . ?
C32 C321 C323 109.74(13) . . ?
C32 C321 C322 109.82(13) . . ?
C323 C321 C322 109.63(18) . . ?
C32 C321 C324 108.64(14) . . ?
C323 C321 C324 108.85(17) . . ?
C322 C321 C324 110.13(16) . . ?
C321 C322 H32A 109.5 . . ?
C321 C322 H32B 109.5 . . ?
H32A C322 H32B 109.5 . . ?
C321 C322 H32C 109.5 . . ?
H32A C322 H32C 109.5 . . ?
H32B C322 H32C 109.5 . . ?
C321 C323 H32D 109.5 . . ?
C321 C323 H32E 109.5 . . ?
H32D C323 H32E 109.5 . . ?
C321 C323 H32F 109.5 . . ?
H32D C323 H32F 109.5 . . ?
H32E C323 H32F 109.5 . . ?
C321 C324 H32G 109.5 . . ?
C321 C324 H32H 109.5 . . ?
H32G C324 H32H 109.5 . . ?
C321 C324 H32I 109.5 . . ?
H32G C324 H32I 109.5 . . ?
H32H C324 H32I 109.5 . . ?
C41 N1 C44 101.59(11) . . ?
C41 N1 Si1 116.64(9) . . ?
C44 N1 Si1 115.92(9) . . ?
C41 N1 Al1 117.23(9) . . ?
C44 N1 Al1 116.02(9) . . ?
Si1 N1 Al1 90.37(5) . . ?
N1 C41 C42 105.47(14) . . ?
N1 C41 H41A 110.6 . . ?
C42 C41 H41A 110.6 . . ?
N1 C41 H41B 110.6 . . ?
C42 C41 H41B 110.6 . . ?
H41A C41 H41B 108.8 . . ?
C41 C42 C43 105.03(15) . . ?
C41 C42 H42A 110.7 . . ?
C43 C42 H42A 110.7 . . ?
C41 C42 H42B 110.7 . . ?
C43 C42 H42B 110.7 . . ?
H42A C42 H42B 108.8 . . ?
C42 C43 C44 105.52(14) . . ?
C42 C43 H43A 110.6 . . ?
C44 C43 H43A 110.6 . . ?
C42 C43 H43B 110.6 . . ?
C44 C43 H43B 110.6 . . ?
H43A C43 H43B 108.8 . . ?
N1 C44 C43 105.61(14) . . ?
N1 C44 H44A 110.6 . . ?
C43 C44 H44A 110.6 . . ?
N1 C44 H44B 110.6 . . ?
C43 C44 H44B 110.6 . . ?
H44A C44 H44B 108.7 . . ?

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
C21 Si1 C11 C12 -69.43(17) . . . . ?
C31 Si1 C11 C12 66.60(17) . . . . ?
N1 Si1 C11 C12 177.98(15) . . . . ?
Al1 Si1 C11 C12 174.31(19) . . . . ?
C21 Si1 C11 Al1 116.26(6) . . . . ?
C31 Si1 C11 Al1 -107.71(6) . . . . ?
N1 Si1 C11 Al1 3.68(6) . . . . ?
Si1 C11 C12 C121 1.8(3) . . . . ?
Al1 C11 C12 C121 174.31(12) . . . . ?
C11 C12 C121 C122 4.6(2) . . . . ?
C11 C12 C121 C124 -118.1(2) . . . . ?
C11 C12 C121 C123 125.10(19) . . . . ?
C21 Si1 N1 C41 111.77(10) . . . . ?
C31 Si1 N1 C41 -6.44(11) . . . . ?
C11 Si1 N1 C41 -124.53(10) . . . . ?
Al1 Si1 N1 C41 -121.01(11) . . . . ?
C21 Si1 N1 C44 -7.83(12) . . . . ?
C31 Si1 N1 C44 -126.04(10) . . . . ?
C11 Si1 N1 C44 115.88(10) . . . . ?
Al1 Si1 N1 C44 119.40(11) . . . . ?
C21 Si1 N1 Al1 -127.23(5) . . . . ?
C31 Si1 N1 Al1 114.56(5) . . . . ?
C11 Si1 N1 Al1 -3.52(5) . . . . ?
C44 N1 C41 C42 40.39(14) . . . . ?
Si1 N1 C41 C42 -86.63(13) . . . . ?
Al1 N1 C41 C42 167.93(10) . . . . ?
N1 C41 C42 C43 -27.42(17) . . . . ?
C41 C42 C43 C44 3.53(19) . . . . ?
C41 N1 C44 C43 -37.94(14) . . . . ?
Si1 N1 C44 C43 89.55(13) . . . . ?
Al1 N1 C44 C43 -166.25(10) . . . . ?
C42 C43 C44 N1 21.48(18) . . . . ?

_refine_diff_density_max         0.542
_refine_diff_density_min         -0.373
_refine_diff_density_rms         0.051

_shelxl_version_number           2013-4

_database_code_depnum_ccdc_archive 'CCDC 992858'
#######################################################################
#
#                 Cambridge Crystallographic Data Centre
#                                CCDC 
# 
#######################################################################
# 
#  This CIF contains data from an original supplementary publication
#  deposited with the CCDC, and may include chemical, crystal,
#  experimental, refinement, atomic coordinates,
#  anisotropic displacement parameters and molecular geometry data,
#  as required by the journal to which it was submitted.
#
#  This CIF is provided on the understanding that it is used for bona
#  fide research purposes only. It may contain copyright material
#  of the CCDC or of third parties, and may not be copied or further
#  disseminated in any form, whether machine-readable or not,
#  except for the purpose of generating routine backup copies
#  on your local computer system.
# 
#  For further information on the CCDC, data deposition and
#  data retrieval see:
#                         www.ccdc.cam.ac.uk
#
#  Bona fide researchers may freely download Mercury and enCIFer
#  from this site to visualise CIF-encoded structures and 
#  to carry out CIF format checking respectively.
#
data_sad

_audit_creation_method           SHELXL-2013
_chemical_name_systematic        
;
 ?
;
_chemical_name_common            ?
_chemical_melting_point          362
_chemical_formula_moiety         ?
_chemical_formula_sum            'C30 H54 Ga N Si'
_chemical_formula_weight         526.55

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'
Si Si 0.0817 0.0704 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ga Ga 0.2307 1.6083 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_H-M_alt        'C 2/c'
_space_group_name_Hall           '-C 2yc'

_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.
;

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

_cell_length_a                   28.4683(13)
_cell_length_b                   15.2259(7)
_cell_length_c                   18.6308(8)
_cell_angle_alpha                90
_cell_angle_beta                 124.8290(10)
_cell_angle_gamma                90
_cell_volume                     6629.0(5)
_cell_formula_units_Z            8
_cell_measurement_temperature    153(2)
_cell_measurement_reflns_used    9968
_cell_measurement_theta_min      2.53
_cell_measurement_theta_max      25.79

_exptl_crystal_description       plate
_exptl_crystal_colour            colourless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.055
_exptl_crystal_F_000             2288
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.460
_exptl_crystal_size_mid          0.290
_exptl_crystal_size_min          0.060
_exptl_absorpt_coefficient_mu    0.882
_shelx_estimated_absorpt_T_min   0.687
_shelx_estimated_absorpt_T_max   0.949
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_correction_T_min  0.7392
_exptl_absorpt_correction_T_max  0.8620
_exptl_absorpt_process_details   SADABS

_exptl_special_details           
;
 ?
;

_diffrn_ambient_temperature      153(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   microsource
_diffrn_measurement_device_type  'Venture Mo multilayer optic'
_diffrn_measurement_method       'Photon 100 CMOS-detector'
_diffrn_detector_area_resol_mean 'omega scans'
_diffrn_reflns_number            36363
_diffrn_reflns_av_unetI/netI     0.0172
_diffrn_reflns_av_R_equivalents  0.0239
_diffrn_reflns_limit_h_min       -34
_diffrn_reflns_limit_h_max       34
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_theta_min         2.377
_diffrn_reflns_theta_max         25.822
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measured_fraction_theta_full 0.996
_diffrn_reflns_Laue_measured_fraction_max 0.994
_diffrn_reflns_Laue_measured_fraction_full 0.996
_diffrn_reflns_point_group_measured_fraction_max 0.994
_diffrn_reflns_point_group_measured_fraction_full 0.996
_reflns_number_total             6366
_reflns_number_gt                5683
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_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.
;

_computing_data_collection       'Bruker SMART'
_computing_cell_refinement       'Bruker SAINT+'
_computing_data_reduction        'Bruker SAINT+'
_computing_structure_solution    'SHELXS-2013 (Sheldrick, 2013)'
_computing_structure_refinement  'SHELXL-2013 (Sheldrick, 2013)'
_computing_molecular_graphics    'Diamond 3.2i (Crystal Impact, 2012)'
_computing_publication_material  'Bruker SHELXTL'

_refine_special_details          
;
 ?
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0531P)²+5.9285P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         6366
_refine_ls_number_parameters     344
_refine_ls_number_restraints     36
_refine_ls_R_factor_all          0.0378
_refine_ls_R_factor_gt           0.0326
_refine_ls_wR_factor_ref         0.0920
_refine_ls_wR_factor_gt          0.0881
_refine_ls_goodness_of_fit_ref   1.043
_refine_ls_restrained_S_all      1.042
_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_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
Si1 Si 0.17902(2) 0.25727(3) 0.20743(3) 0.02484(11) Uani 1 1 d . . . . .
C11 C 0.13036(7) 0.34264(11) 0.13310(11) 0.0275(4) Uani 1 1 d . . . . .
C12 C 0.09044(8) 0.39435(12) 0.12616(12) 0.0317(4) Uani 1 1 d . . . . .
H12 H 0.0718 0.4317 0.0756 0.038 Uiso 1 1 calc R U . . .
C121 C 0.06888(8) 0.40525(13) 0.18356(13) 0.0359(4) Uani 1 1 d . . . . .
C122 C 0.07299(14) 0.50181(17) 0.2072(2) 0.0710(8) Uani 1 1 d . . . . .
H12A H 0.0536 0.5365 0.1548 0.085 Uiso 1 1 calc R U . . .
H12B H 0.1125 0.5189 0.2438 0.085 Uiso 1 1 calc R U . . .
H12C H 0.0555 0.5110 0.2380 0.085 Uiso 1 1 calc R U . . .
C123 C 0.00647(11) 0.3782(3) 0.1294(2) 0.0920(12) Uani 1 1 d . . . . .
H12D H -0.0141 0.4119 0.0763 0.110 Uiso 1 1 calc R U . . .
H12E H -0.0096 0.3887 0.1620 0.110 Uiso 1 1 calc R U . . .
H12F H 0.0035 0.3169 0.1154 0.110 Uiso 1 1 calc R U . . .
C124 C 0.10235(13) 0.35245(19) 0.26700(17) 0.0616(7) Uani 1 1 d . . . . .
H12G H 0.0868 0.3620 0.3004 0.074 Uiso 1 1 calc R U . . .
H12H H 0.1417 0.3706 0.3006 0.074 Uiso 1 1 calc R U . . .
H12I H 0.0999 0.2912 0.2531 0.074 Uiso 1 1 calc R U . . .
Ga1 Ga 0.15058(2) 0.32827(2) 0.04624(2) 0.02692(8) Uani 1 1 d . . . . .
C131 C 0.09041(9) 0.26532(15) -0.06491(13) 0.0446(5) Uani 1 1 d . . . . .
C132 C 0.04147(14) 0.3309(2) -0.1127(2) 0.0954(13) Uani 1 1 d . . . . .
H13A H 0.0097 0.3043 -0.1649 0.115 Uiso 1 1 calc R U . . .
H13B H 0.0539 0.3818 -0.1280 0.115 Uiso 1 1 calc R U . . .
H13C H 0.0299 0.3481 -0.0755 0.115 Uiso 1 1 calc R U . . .
C133 C 0.10921(14) 0.2426(2) -0.12370(18) 0.0824(10) Uani 1 1 d . . . . .
H13D H 0.0776 0.2177 -0.1772 0.099 Uiso 1 1 calc R U . . .
H13E H 0.1399 0.2008 -0.0949 0.099 Uiso 1 1 calc R U . . .
H13F H 0.1220 0.2948 -0.1365 0.099 Uiso 1 1 calc R U . . .
C134 C 0.06739(16) 0.1839(3) -0.0494(2) 0.1084(15) Uani 1 1 d . . . . .
H13G H 0.0533 0.1984 -0.0147 0.130 Uiso 1 1 calc R U . . .
H13H H 0.0974 0.1411 -0.0191 0.130 Uiso 1 1 calc R U . . .
H13I H 0.0368 0.1602 -0.1045 0.130 Uiso 1 1 calc R U . . .
C141 C 0.19212(9) 0.43164(14) 0.03859(14) 0.0416(5) Uani 1 1 d D . . . .
C142 C 0.2287(5) 0.4076(8) 0.0061(7) 0.064(2) Uani 0.543(15) 1 d D U P A 1
H14A H 0.2429 0.4602 -0.0038 0.077 Uiso 0.543(15) 1 calc R U P A 1
H14B H 0.2061 0.3753 -0.0476 0.077 Uiso 0.543(15) 1 calc R U P A 1
H14C H 0.2604 0.3721 0.0491 0.077 Uiso 0.543(15) 1 calc R U P A 1
C143 C 0.2256(4) 0.4800(5) 0.1227(5) 0.0567(19) Uani 0.543(15) 1 d D U P A 1
H14D H 0.2572 0.4445 0.1657 0.068 Uiso 0.543(15) 1 calc R U P A 1
H14E H 0.2016 0.4932 0.1420 0.068 Uiso 0.543(15) 1 calc R U P A 1
H14F H 0.2398 0.5337 0.1147 0.068 Uiso 0.543(15) 1 calc R U P A 1
C144 C 0.1439(3) 0.4927(5) -0.0308(5) 0.067(2) Uani 0.543(15) 1 d D U P A 1
H14G H 0.1185 0.5064 -0.0141 0.081 Uiso 0.543(15) 1 calc R U P A 1
H14H H 0.1230 0.4637 -0.0865 0.081 Uiso 0.543(15) 1 calc R U P A 1
H14I H 0.1603 0.5459 -0.0348 0.081 Uiso 0.543(15) 1 calc R U P A 1
C14A C 0.2060(7) 0.4212(11) -0.0273(8) 0.077(4) Uani 0.457(15) 1 d D U P A 2
H14J H 0.2217 0.4751 -0.0318 0.092 Uiso 0.457(15) 1 calc R U P A 2
H14K H 0.1718 0.4070 -0.0832 0.092 Uiso 0.457(15) 1 calc R U P A 2
H14L H 0.2335 0.3749 -0.0092 0.092 Uiso 0.457(15) 1 calc R U P A 2
C14B C 0.2486(5) 0.4564(7) 0.1275(6) 0.070(3) Uani 0.457(15) 1 d D U P A 2
H14M H 0.2605 0.5141 0.1233 0.085 Uiso 0.457(15) 1 calc R U P A 2
H14N H 0.2779 0.4147 0.1411 0.085 Uiso 0.457(15) 1 calc R U P A 2
H14O H 0.2422 0.4559 0.1728 0.085 Uiso 0.457(15) 1 calc R U P A 2
C14C C 0.1540(4) 0.5129(6) 0.0164(11) 0.078(4) Uani 0.457(15) 1 d D U P A 2
H14P H 0.1467 0.5207 0.0604 0.094 Uiso 0.457(15) 1 calc R U P A 2
H14Q H 0.1184 0.5048 -0.0395 0.094 Uiso 0.457(15) 1 calc R U P A 2
H14R H 0.1731 0.5639 0.0145 0.094 Uiso 0.457(15) 1 calc R U P A 2
C21 C 0.23709(8) 0.28644(12) 0.31864(12) 0.0312(4) Uani 1 1 d . . . . .
C22 C 0.27758(8) 0.30550(13) 0.39010(12) 0.0330(4) Uani 1 1 d . . . . .
C221 C 0.32855(9) 0.32931(13) 0.47734(14) 0.0413(5) Uani 1 1 d . . . . .
C222 C 0.34027(10) 0.42695(14) 0.47880(14) 0.0466(5) Uani 1 1 d . . . . .
H22A H 0.3434 0.4408 0.4314 0.056 Uiso 1 1 calc R U . . .
H22B H 0.3754 0.4417 0.5333 0.056 Uiso 1 1 calc R U . . .
H22C H 0.3094 0.4600 0.4726 0.056 Uiso 1 1 calc R U . . .
C223 C 0.31751(14) 0.3086(2) 0.54729(15) 0.0789(10) Uani 1 1 d . . . . .
H22D H 0.2843 0.3401 0.5344 0.095 Uiso 1 1 calc R U . . .
H22E H 0.3501 0.3260 0.6037 0.095 Uiso 1 1 calc R U . . .
H22F H 0.3112 0.2466 0.5475 0.095 Uiso 1 1 calc R U . . .
C224 C 0.37941(11) 0.27720(19) 0.4929(2) 0.0845(11) Uani 1 1 d . . . . .
H22G H 0.3719 0.2155 0.4911 0.101 Uiso 1 1 calc R U . . .
H22H H 0.4131 0.2920 0.5492 0.101 Uiso 1 1 calc R U . . .
H22I H 0.3853 0.2913 0.4484 0.101 Uiso 1 1 calc R U . . .
C31 C 0.14337(8) 0.15839(12) 0.20804(12) 0.0308(4) Uani 1 1 d . . . . .
C32 C 0.11418(7) 0.09787(12) 0.20151(11) 0.0309(4) Uani 1 1 d . . . . .
C321 C 0.07623(8) 0.02521(13) 0.18968(13) 0.0377(4) Uani 1 1 d D . . . .
C322 C 0.08935(13) -0.05540(19) 0.1559(2) 0.0792(9) Uani 1 1 d D . . . .
H32A H 0.0844 -0.0414 0.1017 0.095 Uiso 1 1 calc R U . . .
H32B H 0.0638 -0.1022 0.1466 0.095 Uiso 1 1 calc R U . . .
H32C H 0.1281 -0.0735 0.1980 0.095 Uiso 1 1 calc R U . . .
C323 C 0.08527(16) 0.0033(2) 0.2764(2) 0.0832(10) Uani 1 1 d D . . . .
H32D H 0.1240 -0.0155 0.3175 0.100 Uiso 1 1 calc R U . . .
H32E H 0.0596 -0.0428 0.2678 0.100 Uiso 1 1 calc R U . . .
H32F H 0.0779 0.0545 0.2986 0.100 Uiso 1 1 calc R U . . .
C324 C 0.01452(11) 0.0535(2) 0.1251(2) 0.0822(10) Uani 1 1 d D . . . .
H32G H 0.0063 0.1027 0.1485 0.099 Uiso 1 1 calc R U . . .
H32H H -0.0105 0.0057 0.1152 0.099 Uiso 1 1 calc R U . . .
H32I H 0.0087 0.0699 0.0709 0.099 Uiso 1 1 calc R U . . .
N1 N 0.21058(6) 0.23268(10) 0.14829(10) 0.0284(3) Uani 1 1 d . . . . .
C41 C 0.20743(10) 0.13998(13) 0.11980(14) 0.0415(5) Uani 1 1 d . . . . .
H41A H 0.2067 0.1380 0.0677 0.050 Uiso 1 1 calc R U . . .
H41B H 0.1736 0.1118 0.1082 0.050 Uiso 1 1 calc R U . . .
C42 C 0.26030(12) 0.09522(18) 0.19437(19) 0.0668(8) Uani 1 1 d . . . . .
H42A H 0.2741 0.0524 0.1728 0.080 Uiso 1 1 calc R U . . .
H42B H 0.2524 0.0666 0.2323 0.080 Uiso 1 1 calc R U . . .
C43 C 0.30396(11) 0.16874(19) 0.24256(18) 0.0661(8) Uani 1 1 d . . . . .
H43A H 0.3368 0.1594 0.2412 0.079 Uiso 1 1 calc R U . . .
H43B H 0.3163 0.1718 0.3024 0.079 Uiso 1 1 calc R U . . .
C44 C 0.27269(8) 0.25277(16) 0.19374(14) 0.0432(5) Uani 1 1 d . . . . .
H44A H 0.2837 0.3007 0.2338 0.052 Uiso 1 1 calc R U . . .
H44B H 0.2811 0.2680 0.1522 0.052 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
Si1 N1 1.8145(15) . ?
Si1 C31 1.8192(19) . ?
Si1 C21 1.8195(19) . ?
Si1 C11 1.8263(18) . ?
Si1 Ga1 2.8400(5) . ?
C11 C12 1.327(2) . ?
C11 Ga1 2.0155(17) . ?
C12 C121 1.516(2) . ?
C12 H12 0.9600 . ?
C121 C124 1.510(3) . ?
C121 C123 1.515(3) . ?
C121 C122 1.520(3) . ?
C122 H12A 0.9599 . ?
C122 H12B 0.9599 . ?
C122 H12C 0.9599 . ?
C123 H12D 0.9599 . ?
C123 H12E 0.9599 . ?
C123 H12F 0.9599 . ?
C124 H12G 0.9599 . ?
C124 H12H 0.9599 . ?
C124 H12I 0.9599 . ?
Ga1 C141 2.022(2) . ?
Ga1 C131 2.022(2) . ?
Ga1 N1 2.2228(15) . ?
C131 C134 1.506(4) . ?
C131 C133 1.509(3) . ?
C131 C132 1.522(4) . ?
C132 H13A 0.9599 . ?
C132 H13B 0.9599 . ?
C132 H13C 0.9599 . ?
C133 H13D 0.9599 . ?
C133 H13E 0.9599 . ?
C133 H13F 0.9599 . ?
C134 H13G 0.9599 . ?
C134 H13H 0.9599 . ?
C134 H13I 0.9599 . ?
C141 C143 1.483(6) . ?
C141 C14A 1.498(9) . ?
C141 C142 1.520(8) . ?
C141 C14C 1.539(7) . ?
C141 C144 1.547(6) . ?
C141 C14B 1.558(8) . ?
C142 H14A 0.9599 . ?
C142 H14B 0.9599 . ?
C142 H14C 0.9599 . ?
C143 H14D 0.9599 . ?
C143 H14E 0.9599 . ?
C143 H14F 0.9599 . ?
C144 H14G 0.9599 . ?
C144 H14H 0.9599 . ?
C144 H14I 0.9599 . ?
C14A H14J 0.9599 . ?
C14A H14K 0.9599 . ?
C14A H14L 0.9599 . ?
C14B H14M 0.9599 . ?
C14B H14N 0.9599 . ?
C14B H14O 0.9599 . ?
C14C H14P 0.9599 . ?
C14C H14Q 0.9599 . ?
C14C H14R 0.9599 . ?
C21 C22 1.197(3) . ?
C22 C221 1.478(3) . ?
C221 C222 1.521(3) . ?
C221 C224 1.526(4) . ?
C221 C223 1.538(4) . ?
C222 H22A 0.9599 . ?
C222 H22B 0.9599 . ?
C222 H22C 0.9599 . ?
C223 H22D 0.9599 . ?
C223 H22E 0.9599 . ?
C223 H22F 0.9599 . ?
C224 H22G 0.9599 . ?
C224 H22H 0.9599 . ?
C224 H22I 0.9599 . ?
C31 C32 1.200(3) . ?
C32 C321 1.472(3) . ?
C321 C324 1.518(3) . ?
C321 C322 1.520(3) . ?
C321 C323 1.521(3) . ?
C322 H32A 0.9599 . ?
C322 H32B 0.9599 . ?
C322 H32C 0.9599 . ?
C323 H32D 0.9599 . ?
C323 H32E 0.9599 . ?
C323 H32F 0.9599 . ?
C324 H32G 0.9599 . ?
C324 H32H 0.9599 . ?
C324 H32I 0.9599 . ?
N1 C44 1.492(2) . ?
N1 C41 1.493(2) . ?
C41 C42 1.507(3) . ?
C41 H41A 0.9600 . ?
C41 H41B 0.9600 . ?
C42 C43 1.526(4) . ?
C42 H42A 0.9600 . ?
C42 H42B 0.9600 . ?
C43 C44 1.527(3) . ?
C43 H43A 0.9600 . ?
C43 H43B 0.9600 . ?
C44 H44A 0.9600 . ?
C44 H44B 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 Si1 C31 107.73(8) . . ?
N1 Si1 C21 107.40(8) . . ?
C31 Si1 C21 110.01(9) . . ?
N1 Si1 C11 96.35(7) . . ?
C31 Si1 C11 114.18(8) . . ?
C21 Si1 C11 119.48(9) . . ?
N1 Si1 Ga1 51.49(5) . . ?
C31 Si1 Ga1 119.90(6) . . ?
C21 Si1 Ga1 129.50(6) . . ?
C11 Si1 Ga1 44.97(5) . . ?
C12 C11 Si1 137.12(14) . . ?
C12 C11 Ga1 127.43(14) . . ?
Si1 C11 Ga1 95.21(8) . . ?
C11 C12 C121 131.74(17) . . ?
C11 C12 H12 114.1 . . ?
C121 C12 H12 114.1 . . ?
C124 C121 C123 110.6(2) . . ?
C124 C121 C12 113.35(16) . . ?
C123 C121 C12 107.05(17) . . ?
C124 C121 C122 108.5(2) . . ?
C123 C121 C122 108.8(2) . . ?
C12 C121 C122 108.39(18) . . ?
C121 C122 H12A 109.5 . . ?
C121 C122 H12B 109.5 . . ?
H12A C122 H12B 109.5 . . ?
C121 C122 H12C 109.5 . . ?
H12A C122 H12C 109.5 . . ?
H12B C122 H12C 109.5 . . ?
C121 C123 H12D 109.5 . . ?
C121 C123 H12E 109.5 . . ?
H12D C123 H12E 109.5 . . ?
C121 C123 H12F 109.5 . . ?
H12D C123 H12F 109.5 . . ?
H12E C123 H12F 109.5 . . ?
C121 C124 H12G 109.5 . . ?
C121 C124 H12H 109.5 . . ?
H12G C124 H12H 109.5 . . ?
C121 C124 H12I 109.5 . . ?
H12G C124 H12I 109.5 . . ?
H12H C124 H12I 109.5 . . ?
C11 Ga1 C141 114.76(8) . . ?
C11 Ga1 C131 114.23(8) . . ?
C141 Ga1 C131 118.96(9) . . ?
C11 Ga1 N1 79.44(6) . . ?
C141 Ga1 N1 112.04(7) . . ?
C131 Ga1 N1 110.69(8) . . ?
C11 Ga1 Si1 39.82(5) . . ?
C141 Ga1 Si1 123.08(6) . . ?
C131 Ga1 Si1 117.75(7) . . ?
N1 Ga1 Si1 39.70(4) . . ?
C134 C131 C133 108.9(3) . . ?
C134 C131 C132 107.4(3) . . ?
C133 C131 C132 108.1(2) . . ?
C134 C131 Ga1 113.63(18) . . ?
C133 C131 Ga1 114.08(17) . . ?
C132 C131 Ga1 104.19(17) . . ?
C131 C132 H13A 109.5 . . ?
C131 C132 H13B 109.5 . . ?
H13A C132 H13B 109.5 . . ?
C131 C132 H13C 109.5 . . ?
H13A C132 H13C 109.5 . . ?
H13B C132 H13C 109.5 . . ?
C131 C133 H13D 109.5 . . ?
C131 C133 H13E 109.5 . . ?
H13D C133 H13E 109.5 . . ?
C131 C133 H13F 109.5 . . ?
H13D C133 H13F 109.5 . . ?
H13E C133 H13F 109.5 . . ?
C131 C134 H13G 109.5 . . ?
C131 C134 H13H 109.5 . . ?
H13G C134 H13H 109.5 . . ?
C131 C134 H13I 109.5 . . ?
H13G C134 H13I 109.5 . . ?
H13H C134 H13I 109.5 . . ?
C143 C141 C142 111.5(5) . . ?
C14A C141 C14C 109.9(6) . . ?
C143 C141 C144 108.2(4) . . ?
C142 C141 C144 107.2(5) . . ?
C14A C141 C14B 107.6(6) . . ?
C14C C141 C14B 103.4(5) . . ?
C143 C141 Ga1 111.2(3) . . ?
C14A C141 Ga1 114.5(6) . . ?
C142 C141 Ga1 113.7(5) . . ?
C14C C141 Ga1 107.1(3) . . ?
C144 C141 Ga1 104.5(3) . . ?
C14B C141 Ga1 113.8(4) . . ?
C141 C142 H14A 109.5 . . ?
C141 C142 H14B 109.5 . . ?
H14A C142 H14B 109.5 . . ?
C141 C142 H14C 109.5 . . ?
H14A C142 H14C 109.5 . . ?
H14B C142 H14C 109.5 . . ?
C141 C143 H14D 109.5 . . ?
C141 C143 H14E 109.5 . . ?
H14D C143 H14E 109.5 . . ?
C141 C143 H14F 109.5 . . ?
H14D C143 H14F 109.5 . . ?
H14E C143 H14F 109.5 . . ?
C141 C144 H14G 109.5 . . ?
C141 C144 H14H 109.5 . . ?
H14G C144 H14H 109.5 . . ?
C141 C144 H14I 109.5 . . ?
H14G C144 H14I 109.5 . . ?
H14H C144 H14I 109.5 . . ?
C141 C14A H14J 109.5 . . ?
C141 C14A H14K 109.5 . . ?
H14J C14A H14K 109.5 . . ?
C141 C14A H14L 109.5 . . ?
H14J C14A H14L 109.5 . . ?
H14K C14A H14L 109.5 . . ?
C141 C14B H14M 109.5 . . ?
C141 C14B H14N 109.5 . . ?
H14M C14B H14N 109.5 . . ?
C141 C14B H14O 109.5 . . ?
H14M C14B H14O 109.5 . . ?
H14N C14B H14O 109.5 . . ?
C141 C14C H14P 109.5 . . ?
C141 C14C H14Q 109.5 . . ?
H14P C14C H14Q 109.5 . . ?
C141 C14C H14R 109.5 . . ?
H14P C14C H14R 109.5 . . ?
H14Q C14C H14R 109.5 . . ?
C22 C21 Si1 175.81(17) . . ?
C21 C22 C221 178.4(2) . . ?
C22 C221 C222 109.09(17) . . ?
C22 C221 C224 108.1(2) . . ?
C222 C221 C224 109.3(2) . . ?
C22 C221 C223 109.51(18) . . ?
C222 C221 C223 109.5(2) . . ?
C224 C221 C223 111.3(2) . . ?
C221 C222 H22A 109.5 . . ?
C221 C222 H22B 109.5 . . ?
H22A C222 H22B 109.5 . . ?
C221 C222 H22C 109.5 . . ?
H22A C222 H22C 109.5 . . ?
H22B C222 H22C 109.5 . . ?
C221 C223 H22D 109.5 . . ?
C221 C223 H22E 109.5 . . ?
H22D C223 H22E 109.5 . . ?
C221 C223 H22F 109.5 . . ?
H22D C223 H22F 109.5 . . ?
H22E C223 H22F 109.5 . . ?
C221 C224 H22G 109.5 . . ?
C221 C224 H22H 109.5 . . ?
H22G C224 H22H 109.5 . . ?
C221 C224 H22I 109.5 . . ?
H22G C224 H22I 109.5 . . ?
H22H C224 H22I 109.5 . . ?
C32 C31 Si1 172.58(17) . . ?
C31 C32 C321 177.4(2) . . ?
C32 C321 C324 108.88(19) . . ?
C32 C321 C322 109.64(17) . . ?
C324 C321 C322 110.3(2) . . ?
C32 C321 C323 109.94(18) . . ?
C324 C321 C323 108.7(2) . . ?
C322 C321 C323 109.3(2) . . ?
C321 C322 H32A 109.5 . . ?
C321 C322 H32B 109.5 . . ?
H32A C322 H32B 109.5 . . ?
C321 C322 H32C 109.5 . . ?
H32A C322 H32C 109.5 . . ?
H32B C322 H32C 109.5 . . ?
C321 C323 H32D 109.5 . . ?
C321 C323 H32E 109.5 . . ?
H32D C323 H32E 109.5 . . ?
C321 C323 H32F 109.5 . . ?
H32D C323 H32F 109.5 . . ?
H32E C323 H32F 109.5 . . ?
C321 C324 H32G 109.5 . . ?
C321 C324 H32H 109.5 . . ?
H32G C324 H32H 109.5 . . ?
C321 C324 H32I 109.5 . . ?
H32G C324 H32I 109.5 . . ?
H32H C324 H32I 109.5 . . ?
C44 N1 C41 101.93(15) . . ?
C44 N1 Si1 116.77(12) . . ?
C41 N1 Si1 117.46(12) . . ?
C44 N1 Ga1 115.70(12) . . ?
C41 N1 Ga1 117.02(12) . . ?
Si1 N1 Ga1 88.81(6) . . ?
N1 C41 C42 105.92(19) . . ?
N1 C41 H41A 110.6 . . ?
C42 C41 H41A 110.6 . . ?
N1 C41 H41B 110.6 . . ?
C42 C41 H41B 110.6 . . ?
H41A C41 H41B 108.7 . . ?
C41 C42 C43 105.0(2) . . ?
C41 C42 H42A 110.7 . . ?
C43 C42 H42A 110.7 . . ?
C41 C42 H42B 110.7 . . ?
C43 C42 H42B 110.7 . . ?
H42A C42 H42B 108.8 . . ?
C42 C43 C44 105.2(2) . . ?
C42 C43 H43A 110.7 . . ?
C44 C43 H43A 110.7 . . ?
C42 C43 H43B 110.7 . . ?
C44 C43 H43B 110.7 . . ?
H43A C43 H43B 108.8 . . ?
N1 C44 C43 105.36(19) . . ?
N1 C44 H44A 110.7 . . ?
C43 C44 H44A 110.7 . . ?
N1 C44 H44B 110.7 . . ?
C43 C44 H44B 110.7 . . ?
H44A C44 H44B 108.8 . . ?

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 Si1 C11 C12 178.1(2) . . . . ?
C31 Si1 C11 C12 65.4(2) . . . . ?
C21 Si1 C11 C12 -67.8(2) . . . . ?
Ga1 Si1 C11 C12 174.3(3) . . . . ?
N1 Si1 C11 Ga1 3.80(8) . . . . ?
C31 Si1 C11 Ga1 -108.89(8) . . . . ?
C21 Si1 C11 Ga1 117.91(8) . . . . ?
Si1 C11 C12 C121 2.0(4) . . . . ?
Ga1 C11 C12 C121 174.84(16) . . . . ?
C11 C12 C121 C124 5.4(3) . . . . ?
C11 C12 C121 C123 -116.8(3) . . . . ?
C11 C12 C121 C122 126.0(3) . . . . ?
C31 Si1 N1 C44 -127.13(14) . . . . ?
C21 Si1 N1 C44 -8.67(16) . . . . ?
C11 Si1 N1 C44 114.95(15) . . . . ?
Ga1 Si1 N1 C44 118.38(15) . . . . ?
C31 Si1 N1 C41 -5.60(16) . . . . ?
C21 Si1 N1 C41 112.86(14) . . . . ?
C11 Si1 N1 C41 -123.51(14) . . . . ?
Ga1 Si1 N1 C41 -120.08(15) . . . . ?
C31 Si1 N1 Ga1 114.48(7) . . . . ?
C21 Si1 N1 Ga1 -127.06(7) . . . . ?
C11 Si1 N1 Ga1 -3.44(7) . . . . ?
C44 N1 C41 C42 39.8(2) . . . . ?
Si1 N1 C41 C42 -89.15(18) . . . . ?
Ga1 N1 C41 C42 167.05(14) . . . . ?
N1 C41 C42 C43 -25.6(2) . . . . ?
C41 C42 C43 C44 1.5(3) . . . . ?
C41 N1 C44 C43 -38.4(2) . . . . ?
Si1 N1 C44 C43 90.94(18) . . . . ?
Ga1 N1 C44 C43 -166.53(14) . . . . ?
C42 C43 C44 N1 23.0(2) . . . . ?

_refine_diff_density_max         0.591
_refine_diff_density_min         -0.313
_refine_diff_density_rms         0.053

_shelxl_version_number           2013-4

_database_code_depnum_ccdc_archive 'CCDC 992859'
#######################################################################
#
#                 Cambridge Crystallographic Data Centre
#                                CCDC 
# 
#######################################################################
# 
#  This CIF contains data from an original supplementary publication
#  deposited with the CCDC, and may include chemical, crystal,
#  experimental, refinement, atomic coordinates,
#  anisotropic displacement parameters and molecular geometry data,
#  as required by the journal to which it was submitted.
#
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#  fide research purposes only. It may contain copyright material
#  of the CCDC or of third parties, and may not be copied or further
#  disseminated in any form, whether machine-readable or not,
#  except for the purpose of generating routine backup copies
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# 
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#  data retrieval see:
#                         www.ccdc.cam.ac.uk
#
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#  from this site to visualise CIF-encoded structures and 
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data_sad

_audit_creation_method           SHELXL-2013
_chemical_name_systematic        
;
 ?
;
_chemical_name_common            ?
_chemical_melting_point          444
_chemical_formula_moiety         ?
_chemical_formula_sum            'C44 H74 Al2 F5 N Si'
_chemical_formula_weight         794.09

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Al Al 0.2130 0.2455 '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'
F F 0.0727 0.0534 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      orthorhombic
_space_group_IT_number           61
_space_group_name_H-M_alt        'P b c a'
_space_group_name_Hall           '-P 2ac 2ab'

_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.
;

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

_cell_length_a                   20.7949(4)
_cell_length_b                   11.5692(2)
_cell_length_c                   40.0587(9)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     9637.3(3)
_cell_formula_units_Z            8
_cell_measurement_temperature    153(2)
_cell_measurement_reflns_used    9652
_cell_measurement_theta_min      4.25
_cell_measurement_theta_max      74.29

_exptl_crystal_description       plate
_exptl_crystal_colour            colourless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.095
_exptl_crystal_F_000             3440
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.260
_exptl_crystal_size_mid          0.250
_exptl_crystal_size_min          0.090
_exptl_absorpt_coefficient_mu    1.169
_shelx_estimated_absorpt_T_min   0.751
_shelx_estimated_absorpt_T_max   0.902
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_correction_T_min  0.5372
_exptl_absorpt_correction_T_max  0.7538
_exptl_absorpt_process_details   SADABS

_exptl_special_details           
;
 ?
;

_diffrn_ambient_temperature      153(2)
_diffrn_radiation_wavelength     1.54178
_diffrn_radiation_type           CuK\a
_diffrn_source                   microsource
_diffrn_measurement_device_type  'Venture Mo multilayer optic'
_diffrn_measurement_method       'Photon 100 CMOS-detector'
_diffrn_detector_area_resol_mean 'omega scans'
_diffrn_reflns_number            59102
_diffrn_reflns_av_unetI/netI     0.0603
_diffrn_reflns_av_R_equivalents  0.1396
_diffrn_reflns_limit_h_min       -25
_diffrn_reflns_limit_h_max       25
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_l_min       -49
_diffrn_reflns_limit_l_max       42
_diffrn_reflns_theta_min         3.063
_diffrn_reflns_theta_max         74.467
_diffrn_reflns_theta_full        67.679
_diffrn_measured_fraction_theta_max 0.982
_diffrn_measured_fraction_theta_full 0.994
_diffrn_reflns_Laue_measured_fraction_max 0.982
_diffrn_reflns_Laue_measured_fraction_full 0.994
_diffrn_reflns_point_group_measured_fraction_max 0.982
_diffrn_reflns_point_group_measured_fraction_full 0.994
_reflns_number_total             9671
_reflns_number_gt                8688
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_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.
;

_computing_data_collection       'Bruker SMART'
_computing_cell_refinement       'Bruker SAINT+'
_computing_data_reduction        'Bruker SHELXTL'
_computing_structure_solution    'SHELXS-2013 (Sheldrick, 2013)'
_computing_structure_refinement  'SHELXL-2013 (Sheldrick, 2013)'
_computing_molecular_graphics    'Diamond 3.2i (Crystal Impact, 2012)'
_computing_publication_material  'Bruker SHELXTL'

_refine_special_details          
;
 ?
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0607P)²+12.9560P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         9671
_refine_ls_number_parameters     516
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0704
_refine_ls_R_factor_gt           0.0647
_refine_ls_wR_factor_ref         0.1768
_refine_ls_wR_factor_gt          0.1725
_refine_ls_goodness_of_fit_ref   1.081
_refine_ls_restrained_S_all      1.081
_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_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
Si1 Si 0.49956(3) 0.84987(5) 0.14263(2) 0.02058(15) Uani 1 1 d . . . . .
C11 C 0.48497(11) 0.9902(2) 0.12118(6) 0.0233(4) Uani 1 1 d . . . . .
C12 C 0.52515(12) 1.0136(2) 0.09559(6) 0.0288(5) Uani 1 1 d . . . . .
H12 H 0.5556 0.9541 0.0902 0.035 Uiso 1 1 calc R U . . .
C121 C 0.52843(13) 1.1211(2) 0.07437(7) 0.0357(6) Uani 1 1 d . . . . .
C122 C 0.48145(15) 1.2138(2) 0.08587(8) 0.0440(7) Uani 1 1 d . . . . .
H12A H 0.4382 1.1862 0.0833 0.053 Uiso 1 1 calc R U . . .
H12B H 0.4873 1.2822 0.0726 0.053 Uiso 1 1 calc R U . . .
H12C H 0.4893 1.2316 0.1089 0.053 Uiso 1 1 calc R U . . .
C123 C 0.51426(18) 1.0871(3) 0.03800(7) 0.0515(8) Uani 1 1 d . . . . .
H12D H 0.5436 1.0277 0.0311 0.062 Uiso 1 1 calc R U . . .
H12E H 0.5193 1.1535 0.0239 0.062 Uiso 1 1 calc R U . . .
H12F H 0.4710 1.0590 0.0363 0.062 Uiso 1 1 calc R U . . .
C124 C 0.59739(16) 1.1695(3) 0.07687(10) 0.0553(9) Uani 1 1 d . . . . .
H12G H 0.6058 1.1929 0.0994 0.066 Uiso 1 1 calc R U . . .
H12H H 0.6017 1.2349 0.0623 0.066 Uiso 1 1 calc R U . . .
H12I H 0.6276 1.1108 0.0704 0.066 Uiso 1 1 calc R U . . .
Al1 Al 0.41294(3) 1.09314(6) 0.13317(2) 0.02404(17) Uani 1 1 d . . . . .
C131 C 0.32767(12) 1.0736(2) 0.11073(7) 0.0337(6) Uani 1 1 d . . . . .
C132 C 0.29046(13) 0.9795(3) 0.12954(9) 0.0442(7) Uani 1 1 d . . . . .
H13A H 0.2848 1.0025 0.1524 0.053 Uiso 1 1 calc R U . . .
H13B H 0.3141 0.9083 0.1287 0.053 Uiso 1 1 calc R U . . .
H13C H 0.2491 0.9688 0.1193 0.053 Uiso 1 1 calc R U . . .
C133 C 0.28782(14) 1.1862(3) 0.11194(9) 0.0481(8) Uani 1 1 d . . . . .
H13D H 0.3099 1.2458 0.0998 0.058 Uiso 1 1 calc R U . . .
H13E H 0.2823 1.2098 0.1347 0.058 Uiso 1 1 calc R U . . .
H13F H 0.2465 1.1729 0.1020 0.058 Uiso 1 1 calc R U . . .
C134 C 0.33275(16) 1.0370(3) 0.07392(8) 0.0487(8) Uani 1 1 d . . . . .
H13G H 0.2905 1.0232 0.0652 0.058 Uiso 1 1 calc R U . . .
H13H H 0.3578 0.9676 0.0723 0.058 Uiso 1 1 calc R U . . .
H13I H 0.3531 1.0974 0.0613 0.058 Uiso 1 1 calc R U . . .
C141 C 0.41814(12) 1.1960(2) 0.17299(7) 0.0308(5) Uani 1 1 d . . . . .
C142 C 0.36856(17) 1.1533(3) 0.19850(8) 0.0506(8) Uani 1 1 d . . . . .
H14A H 0.3706 1.2005 0.2182 0.061 Uiso 1 1 calc R U . . .
H14B H 0.3777 1.0745 0.2043 0.061 Uiso 1 1 calc R U . . .
H14C H 0.3263 1.1581 0.1890 0.061 Uiso 1 1 calc R U . . .
C143 C 0.40293(16) 1.3229(2) 0.16540(9) 0.0473(7) Uani 1 1 d . . . . .
H14D H 0.3606 1.3287 0.1560 0.057 Uiso 1 1 calc R U . . .
H14E H 0.4339 1.3526 0.1498 0.057 Uiso 1 1 calc R U . . .
H14F H 0.4048 1.3671 0.1857 0.057 Uiso 1 1 calc R U . . .
C144 C 0.48404(15) 1.1921(3) 0.18961(9) 0.0497(8) Uani 1 1 d . . . . .
H14G H 0.5163 1.2151 0.1738 0.060 Uiso 1 1 calc R U . . .
H14H H 0.4927 1.1148 0.1971 0.060 Uiso 1 1 calc R U . . .
H14I H 0.4846 1.2438 0.2083 0.060 Uiso 1 1 calc R U . . .
C21 C 0.53143(11) 0.7253(2) 0.11925(6) 0.0254(5) Uani 1 1 d . . . . .
C22 C 0.51071(12) 0.6595(2) 0.09407(6) 0.0306(5) Uani 1 1 d . . . . .
H22 H 0.5408 0.6013 0.0871 0.037 Uiso 1 1 calc R U . . .
C221 C 0.44815(13) 0.6601(2) 0.07443(7) 0.0339(6) Uani 1 1 d . . . . .
C222 C 0.39683(13) 0.7333(3) 0.09065(9) 0.0505(8) Uani 1 1 d . . . . .
H22A H 0.3870 0.7028 0.1123 0.061 Uiso 1 1 calc R U . . .
H22B H 0.3588 0.7325 0.0771 0.061 Uiso 1 1 calc R U . . .
H22C H 0.4121 0.8113 0.0928 0.061 Uiso 1 1 calc R U . . .
C223 C 0.46267(18) 0.7099(4) 0.03964(8) 0.0598(9) Uani 1 1 d . . . . .
H22D H 0.4243 0.7087 0.0264 0.072 Uiso 1 1 calc R U . . .
H22E H 0.4953 0.6641 0.0290 0.072 Uiso 1 1 calc R U . . .
H22F H 0.4776 0.7881 0.0418 0.072 Uiso 1 1 calc R U . . .
C224 C 0.4246(2) 0.5368(3) 0.07121(11) 0.0696(12) Uani 1 1 d . . . . .
H22G H 0.4160 0.5060 0.0930 0.084 Uiso 1 1 calc R U . . .
H22H H 0.4570 0.4909 0.0605 0.084 Uiso 1 1 calc R U . . .
H22I H 0.3860 0.5354 0.0581 0.084 Uiso 1 1 calc R U . . .
Al2 Al 0.60941(3) 0.70918(6) 0.14787(2) 0.02304(17) Uani 1 1 d . . . . .
C231 C 0.60068(13) 0.5701(2) 0.17838(7) 0.0339(6) Uani 1 1 d . . . . .
C232 C 0.53095(16) 0.5526(3) 0.19026(10) 0.0525(8) Uani 1 1 d . . . . .
H23A H 0.5271 0.4787 0.2010 0.063 Uiso 1 1 calc R U . . .
H23B H 0.5025 0.5556 0.1714 0.063 Uiso 1 1 calc R U . . .
H23C H 0.5198 0.6126 0.2058 0.063 Uiso 1 1 calc R U . . .
C233 C 0.61706(19) 0.4633(3) 0.15729(10) 0.0558(9) Uani 1 1 d . . . . .
H23D H 0.6610 0.4678 0.1500 0.067 Uiso 1 1 calc R U . . .
H23E H 0.5893 0.4604 0.1382 0.067 Uiso 1 1 calc R U . . .
H23F H 0.6112 0.3948 0.1705 0.067 Uiso 1 1 calc R U . . .
C234 C 0.64413(19) 0.5710(3) 0.20909(9) 0.0573(9) Uani 1 1 d . . . . .
H23G H 0.6323 0.6341 0.2234 0.069 Uiso 1 1 calc R U . . .
H23H H 0.6881 0.5799 0.2022 0.069 Uiso 1 1 calc R U . . .
H23I H 0.6394 0.4994 0.2210 0.069 Uiso 1 1 calc R U . . .
C241 C 0.69557(12) 0.7266(2) 0.12444(7) 0.0337(6) Uani 1 1 d . . . . .
C242 C 0.69122(16) 0.6444(3) 0.09448(8) 0.0504(8) Uani 1 1 d . . . . .
H24A H 0.7314 0.6443 0.0827 0.060 Uiso 1 1 calc R U . . .
H24B H 0.6576 0.6698 0.0798 0.060 Uiso 1 1 calc R U . . .
H24C H 0.6819 0.5677 0.1022 0.060 Uiso 1 1 calc R U . . .
C243 C 0.75293(14) 0.6880(3) 0.14611(9) 0.0487(8) Uani 1 1 d . . . . .
H24D H 0.7460 0.6103 0.1537 0.058 Uiso 1 1 calc R U . . .
H24E H 0.7568 0.7385 0.1650 0.058 Uiso 1 1 calc R U . . .
H24F H 0.7917 0.6912 0.1331 0.058 Uiso 1 1 calc R U . . .
C244 C 0.71318(15) 0.8455(3) 0.11022(8) 0.0468(7) Uani 1 1 d . . . . .
H24G H 0.7195 0.8991 0.1282 0.056 Uiso 1 1 calc R U . . .
H24H H 0.6790 0.8725 0.0961 0.056 Uiso 1 1 calc R U . . .
H24I H 0.7521 0.8394 0.0974 0.056 Uiso 1 1 calc R U . . .
N1 N 0.57163(9) 0.85913(16) 0.17008(5) 0.0220(4) Uani 1 1 d . . . . .
C41 C 0.56145(12) 0.8586(2) 0.20706(6) 0.0289(5) Uani 1 1 d . . . . .
H41A H 0.5492 0.7830 0.2147 0.028(7) Uiso 1 1 calc R . . . .
H41B H 0.5286 0.9127 0.2133 0.031(7) Uiso 1 1 calc R . . . .
C42 C 0.62647(15) 0.8939(3) 0.22182(7) 0.0435(7) Uani 1 1 d . . . . .
H42A H 0.6206 0.9445 0.2406 0.065(11) Uiso 1 1 calc R . . . .
H42B H 0.6501 0.8271 0.2290 0.074(13) Uiso 1 1 calc R . . . .
C43 C 0.66203(12) 0.9560(2) 0.19375(7) 0.0338(6) Uani 1 1 d . . . . .
H43A H 0.6758 1.0314 0.2008 0.050(9) Uiso 1 1 calc R . . . .
H43B H 0.6989 0.9124 0.1867 0.056(10) Uiso 1 1 calc R . . . .
C44 C 0.61265(11) 0.9646(2) 0.16573(6) 0.0267(5) Uani 1 1 d . . . . .
H44A H 0.5874 1.0337 0.1678 0.027(7) Uiso 1 1 calc R . . . .
H44B H 0.6333 0.9644 0.1443 0.018(6) Uiso 1 1 calc R . . . .
C31 C 0.43354(11) 0.8207(2) 0.17177(6) 0.0265(5) Uani 1 1 d . . . . .
C32 C 0.39347(11) 0.7903(2) 0.19143(6) 0.0257(5) Uani 1 1 d . . . . .
C321 C 0.34662(11) 0.7460(2) 0.21617(6) 0.0281(5) Uani 1 1 d . . . . .
C322 C 0.38110(15) 0.7359(3) 0.24985(7) 0.0433(7) Uani 1 1 d . . . . .
H32A H 0.4162 0.6824 0.2479 0.052 Uiso 1 1 calc R U . . .
H32B H 0.3514 0.7087 0.2664 0.052 Uiso 1 1 calc R U . . .
H32C H 0.3973 0.8103 0.2563 0.052 Uiso 1 1 calc R U . . .
C323 C 0.28926(13) 0.8278(3) 0.21909(8) 0.0412(7) Uani 1 1 d . . . . .
H32D H 0.3039 0.9025 0.2262 0.049 Uiso 1 1 calc R U . . .
H32E H 0.2594 0.7978 0.2352 0.049 Uiso 1 1 calc R U . . .
H32F H 0.2685 0.8344 0.1978 0.049 Uiso 1 1 calc R U . . .
C324 C 0.32433(14) 0.6259(2) 0.20465(8) 0.0425(7) Uani 1 1 d . . . . .
H32G H 0.3038 0.6322 0.1833 0.051 Uiso 1 1 calc R U . . .
H32H H 0.2944 0.5949 0.2206 0.051 Uiso 1 1 calc R U . . .
H32I H 0.3608 0.5754 0.2029 0.051 Uiso 1 1 calc R U . . .
C51 C 0.7189(2) 1.0978(3) 0.00025(8) 0.0570(9) Uani 1 1 d . . . . .
C52 C 0.7680(2) 1.1662(3) -0.00969(9) 0.0670(11) Uani 1 1 d . . . . .
C53 C 0.8310(2) 1.1366(4) -0.00365(10) 0.0719(11) Uani 1 1 d . . . . .
C54 C 0.8438(2) 1.0339(4) 0.01251(10) 0.0672(11) Uani 1 1 d . . . . .
C55 C 0.7940(2) 0.9646(3) 0.02190(9) 0.0610(10) Uani 1 1 d . . . . .
C56 C 0.73177(19) 0.9959(3) 0.01589(8) 0.0563(9) Uani 1 1 d . . . . .
F1 F 0.66091(15) 1.1303(3) -0.00595(7) 0.0866(9) Uani 0.8333 1 d . . P . .
F2 F 0.7519(2) 1.2623(3) -0.02575(8) 0.1000(11) Uani 0.8333 1 d . . P . .
F3 F 0.88009(18) 1.2029(3) -0.01345(9) 0.0978(11) Uani 0.8333 1 d . . P . .
F4 F 0.90394(14) 0.9996(3) 0.01992(8) 0.0904(10) Uani 0.8333 1 d . . P . .
F5 F 0.80733(18) 0.8675(3) 0.03567(8) 0.0945(10) Uani 0.8333 1 d . . P . .
F6 F 0.68209(14) 0.9273(2) 0.02477(7) 0.0712(7) Uani 0.8333 1 d . . P . .
H51A H 0.6752 1.1209 -0.0037 0.080 Uiso 0.1667 1 d . U P . .
H52A H 0.7587 1.2371 -0.0212 0.080 Uiso 0.1667 1 d . U P . .
H53A H 0.8655 1.1867 -0.0106 0.080 Uiso 0.1667 1 d . U P . .
H54A H 0.8875 1.0114 0.0171 0.080 Uiso 0.1667 1 d . U P . .
H55A H 0.8028 0.8926 0.0330 0.080 Uiso 0.1667 1 d . U P . .
H56A H 0.6971 0.9461 0.0227 0.080 Uiso 0.1667 1 d . U P . .


_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
Si1 C31 1.834(2) . ?
Si1 C21 1.842(2) . ?
Si1 N1 1.862(2) . ?
Si1 C11 1.862(2) . ?
Si1 Al2 2.8129(9) . ?
C11 C12 1.350(3) . ?
C11 Al1 1.973(2) . ?
C12 C121 1.508(4) . ?
C12 H12 0.9600 . ?
C121 C122 1.522(4) . ?
C121 C123 1.538(4) . ?
C121 C124 1.543(4) . ?
C122 H12A 0.9599 . ?
C122 H12B 0.9599 . ?
C122 H12C 0.9599 . ?
C123 H12D 0.9599 . ?
C123 H12E 0.9599 . ?
C123 H12F 0.9599 . ?
C124 H12G 0.9599 . ?
C124 H12H 0.9599 . ?
C124 H12I 0.9599 . ?
Al1 C141 1.993(3) . ?
Al1 C131 2.001(3) . ?
C131 C132 1.533(4) . ?
C131 C134 1.538(4) . ?
C131 C133 1.544(4) . ?
C132 H13A 0.9599 . ?
C132 H13B 0.9599 . ?
C132 H13C 0.9599 . ?
C133 H13D 0.9599 . ?
C133 H13E 0.9599 . ?
C133 H13F 0.9599 . ?
C134 H13G 0.9599 . ?
C134 H13H 0.9599 . ?
C134 H13I 0.9599 . ?
C141 C144 1.524(4) . ?
C141 C143 1.533(4) . ?
C141 C142 1.533(4) . ?
C142 H14A 0.9599 . ?
C142 H14B 0.9599 . ?
C142 H14C 0.9599 . ?
C143 H14D 0.9599 . ?
C143 H14E 0.9599 . ?
C143 H14F 0.9599 . ?
C144 H14G 0.9599 . ?
C144 H14H 0.9599 . ?
C144 H14I 0.9599 . ?
C21 C22 1.335(3) . ?
C21 Al2 1.995(2) . ?
C22 C221 1.520(4) . ?
C22 H22 0.9600 . ?
C221 C222 1.510(4) . ?
C221 C224 1.512(4) . ?
C221 C223 1.538(4) . ?
C222 H22A 0.9599 . ?
C222 H22B 0.9599 . ?
C222 H22C 0.9599 . ?
C223 H22D 0.9599 . ?
C223 H22E 0.9599 . ?
C223 H22F 0.9599 . ?
C224 H22G 0.9599 . ?
C224 H22H 0.9599 . ?
C224 H22I 0.9599 . ?
Al2 C231 2.029(3) . ?
Al2 C241 2.033(3) . ?
Al2 N1 2.1020(19) . ?
C231 C234 1.526(4) . ?
C231 C233 1.535(4) . ?
C231 C232 1.540(4) . ?
C232 H23A 0.9599 . ?
C232 H23B 0.9599 . ?
C232 H23C 0.9599 . ?
C233 H23D 0.9599 . ?
C233 H23E 0.9599 . ?
C233 H23F 0.9599 . ?
C234 H23G 0.9599 . ?
C234 H23H 0.9599 . ?
C234 H23I 0.9599 . ?
C241 C244 1.533(4) . ?
C241 C242 1.534(4) . ?
C241 C243 1.541(4) . ?
C242 H24A 0.9599 . ?
C242 H24B 0.9599 . ?
C242 H24C 0.9599 . ?
C243 H24D 0.9599 . ?
C243 H24E 0.9599 . ?
C243 H24F 0.9599 . ?
C244 H24G 0.9599 . ?
C244 H24H 0.9599 . ?
C244 H24I 0.9599 . ?
N1 C41 1.496(3) . ?
N1 C44 1.499(3) . ?
C41 C42 1.531(4) . ?
C41 H41A 0.9600 . ?
C41 H41B 0.9600 . ?
C42 C43 1.525(4) . ?
C42 H42A 0.9600 . ?
C42 H42B 0.9600 . ?
C43 C44 1.525(3) . ?
C43 H43A 0.9600 . ?
C43 H43B 0.9600 . ?
C44 H44A 0.9600 . ?
C44 H44B 0.9600 . ?
C31 C32 1.199(3) . ?
C32 C321 1.481(3) . ?
C321 C323 1.527(4) . ?
C321 C322 1.532(4) . ?
C321 C324 1.536(4) . ?
C322 H32A 0.9599 . ?
C322 H32B 0.9599 . ?
C322 H32C 0.9599 . ?
C323 H32D 0.9599 . ?
C323 H32E 0.9599 . ?
C323 H32F 0.9599 . ?
C324 H32G 0.9599 . ?
C324 H32H 0.9599 . ?
C324 H32I 0.9599 . ?
C51 F1 1.288(5) . ?
C51 C52 1.351(6) . ?
C51 C56 1.361(5) . ?
C51 H51A 0.9620 . ?
C52 F2 1.328(5) . ?
C52 C53 1.376(6) . ?
C52 H52A 0.9617 . ?
C53 F3 1.335(5) . ?
C53 C54 1.379(7) . ?
C53 H53A 0.9626 . ?
C54 F4 1.345(5) . ?
C54 C55 1.363(6) . ?
C54 H54A 0.9621 . ?
C55 F5 1.283(5) . ?
C55 C56 1.365(5) . ?
C55 H55A 0.9619 . ?
C56 F6 1.350(5) . ?
C56 H56A 0.9621 . ?
F1 H51A 0.3281 . ?
F2 H52A 0.3707 . ?
F3 H53A 0.3748 . ?
F4 H54A 0.3857 . ?
F5 H55A 0.3240 . ?
F6 H56A 0.3895 . ?

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
C31 Si1 C21 116.69(11) . . ?
C31 Si1 N1 103.73(10) . . ?
C21 Si1 N1 93.19(9) . . ?
C31 Si1 C11 109.42(10) . . ?
C21 Si1 C11 120.41(11) . . ?
N1 Si1 C11 110.70(9) . . ?
C31 Si1 Al2 117.00(8) . . ?
C21 Si1 Al2 45.01(7) . . ?
N1 Si1 Al2 48.35(6) . . ?
C11 Si1 Al2 132.17(8) . . ?
C12 C11 Si1 115.10(17) . . ?
C12 C11 Al1 122.28(18) . . ?
Si1 C11 Al1 122.52(12) . . ?
C11 C12 C121 128.4(2) . . ?
C11 C12 H12 115.8 . . ?
C121 C12 H12 115.8 . . ?
C12 C121 C122 112.4(2) . . ?
C12 C121 C123 108.3(2) . . ?
C122 C121 C123 110.1(2) . . ?
C12 C121 C124 107.8(2) . . ?
C122 C121 C124 108.7(3) . . ?
C123 C121 C124 109.4(3) . . ?
C121 C122 H12A 109.5 . . ?
C121 C122 H12B 109.5 . . ?
H12A C122 H12B 109.5 . . ?
C121 C122 H12C 109.5 . . ?
H12A C122 H12C 109.5 . . ?
H12B C122 H12C 109.5 . . ?
C121 C123 H12D 109.5 . . ?
C121 C123 H12E 109.5 . . ?
H12D C123 H12E 109.5 . . ?
C121 C123 H12F 109.5 . . ?
H12D C123 H12F 109.5 . . ?
H12E C123 H12F 109.5 . . ?
C121 C124 H12G 109.5 . . ?
C121 C124 H12H 109.5 . . ?
H12G C124 H12H 109.5 . . ?
C121 C124 H12I 109.5 . . ?
H12G C124 H12I 109.5 . . ?
H12H C124 H12I 109.5 . . ?
C11 Al1 C141 120.92(10) . . ?
C11 Al1 C131 119.70(10) . . ?
C141 Al1 C131 118.37(11) . . ?
C132 C131 C134 108.1(2) . . ?
C132 C131 C133 108.2(2) . . ?
C134 C131 C133 107.4(2) . . ?
C132 C131 Al1 107.86(18) . . ?
C134 C131 Al1 113.64(19) . . ?
C133 C131 Al1 111.48(18) . . ?
C131 C132 H13A 109.5 . . ?
C131 C132 H13B 109.5 . . ?
H13A C132 H13B 109.5 . . ?
C131 C132 H13C 109.5 . . ?
H13A C132 H13C 109.5 . . ?
H13B C132 H13C 109.5 . . ?
C131 C133 H13D 109.5 . . ?
C131 C133 H13E 109.5 . . ?
H13D C133 H13E 109.5 . . ?
C131 C133 H13F 109.5 . . ?
H13D C133 H13F 109.5 . . ?
H13E C133 H13F 109.5 . . ?
C131 C134 H13G 109.5 . . ?
C131 C134 H13H 109.5 . . ?
H13G C134 H13H 109.5 . . ?
C131 C134 H13I 109.5 . . ?
H13G C134 H13I 109.5 . . ?
H13H C134 H13I 109.5 . . ?
C144 C141 C143 107.5(2) . . ?
C144 C141 C142 107.7(3) . . ?
C143 C141 C142 107.6(2) . . ?
C144 C141 Al1 112.38(18) . . ?
C143 C141 Al1 113.7(2) . . ?
C142 C141 Al1 107.74(18) . . ?
C141 C142 H14A 109.5 . . ?
C141 C142 H14B 109.5 . . ?
H14A C142 H14B 109.5 . . ?
C141 C142 H14C 109.5 . . ?
H14A C142 H14C 109.5 . . ?
H14B C142 H14C 109.5 . . ?
C141 C143 H14D 109.5 . . ?
C141 C143 H14E 109.5 . . ?
H14D C143 H14E 109.5 . . ?
C141 C143 H14F 109.5 . . ?
H14D C143 H14F 109.5 . . ?
H14E C143 H14F 109.5 . . ?
C141 C144 H14G 109.5 . . ?
C141 C144 H14H 109.5 . . ?
H14G C144 H14H 109.5 . . ?
C141 C144 H14I 109.5 . . ?
H14G C144 H14I 109.5 . . ?
H14H C144 H14I 109.5 . . ?
C22 C21 Si1 135.58(19) . . ?
C22 C21 Al2 130.02(18) . . ?
Si1 C21 Al2 94.22(11) . . ?
C21 C22 C221 131.7(2) . . ?
C21 C22 H22 114.2 . . ?
C221 C22 H22 114.2 . . ?
C222 C221 C224 109.7(3) . . ?
C222 C221 C22 112.6(2) . . ?
C224 C221 C22 108.5(2) . . ?
C222 C221 C223 108.5(3) . . ?
C224 C221 C223 109.8(3) . . ?
C22 C221 C223 107.6(2) . . ?
C221 C222 H22A 109.5 . . ?
C221 C222 H22B 109.5 . . ?
H22A C222 H22B 109.5 . . ?
C221 C222 H22C 109.5 . . ?
H22A C222 H22C 109.5 . . ?
H22B C222 H22C 109.5 . . ?
C221 C223 H22D 109.5 . . ?
C221 C223 H22E 109.5 . . ?
H22D C223 H22E 109.5 . . ?
C221 C223 H22F 109.5 . . ?
H22D C223 H22F 109.5 . . ?
H22E C223 H22F 109.5 . . ?
C221 C224 H22G 109.5 . . ?
C221 C224 H22H 109.5 . . ?
H22G C224 H22H 109.5 . . ?
C221 C224 H22I 109.5 . . ?
H22G C224 H22I 109.5 . . ?
H22H C224 H22I 109.5 . . ?
C21 Al2 C231 110.35(11) . . ?
C21 Al2 C241 116.22(11) . . ?
C231 Al2 C241 115.83(11) . . ?
C21 Al2 N1 82.07(9) . . ?
C231 Al2 N1 111.48(10) . . ?
C241 Al2 N1 116.30(10) . . ?
C21 Al2 Si1 40.77(7) . . ?
C231 Al2 Si1 115.55(8) . . ?
C241 Al2 Si1 128.61(8) . . ?
N1 Al2 Si1 41.45(5) . . ?
C234 C231 C233 108.5(3) . . ?
C234 C231 C232 108.0(3) . . ?
C233 C231 C232 105.9(2) . . ?
C234 C231 Al2 115.29(19) . . ?
C233 C231 Al2 106.7(2) . . ?
C232 C231 Al2 112.01(18) . . ?
C231 C232 H23A 109.5 . . ?
C231 C232 H23B 109.5 . . ?
H23A C232 H23B 109.5 . . ?
C231 C232 H23C 109.5 . . ?
H23A C232 H23C 109.5 . . ?
H23B C232 H23C 109.5 . . ?
C231 C233 H23D 109.5 . . ?
C231 C233 H23E 109.5 . . ?
H23D C233 H23E 109.5 . . ?
C231 C233 H23F 109.5 . . ?
H23D C233 H23F 109.5 . . ?
H23E C233 H23F 109.5 . . ?
C231 C234 H23G 109.5 . . ?
C231 C234 H23H 109.5 . . ?
H23G C234 H23H 109.5 . . ?
C231 C234 H23I 109.5 . . ?
H23G C234 H23I 109.5 . . ?
H23H C234 H23I 109.5 . . ?
C244 C241 C242 106.3(2) . . ?
C244 C241 C243 106.5(2) . . ?
C242 C241 C243 107.9(2) . . ?
C244 C241 Al2 118.10(18) . . ?
C242 C241 Al2 104.34(19) . . ?
C243 C241 Al2 113.16(19) . . ?
C241 C242 H24A 109.5 . . ?
C241 C242 H24B 109.5 . . ?
H24A C242 H24B 109.5 . . ?
C241 C242 H24C 109.5 . . ?
H24A C242 H24C 109.5 . . ?
H24B C242 H24C 109.5 . . ?
C241 C243 H24D 109.5 . . ?
C241 C243 H24E 109.5 . . ?
H24D C243 H24E 109.5 . . ?
C241 C243 H24F 109.5 . . ?
H24D C243 H24F 109.5 . . ?
H24E C243 H24F 109.5 . . ?
C241 C244 H24G 109.5 . . ?
C241 C244 H24H 109.5 . . ?
H24G C244 H24H 109.5 . . ?
C241 C244 H24I 109.5 . . ?
H24G C244 H24I 109.5 . . ?
H24H C244 H24I 109.5 . . ?
C41 N1 C44 101.50(18) . . ?
C41 N1 Si1 118.07(15) . . ?
C44 N1 Si1 115.86(14) . . ?
C41 N1 Al2 117.93(14) . . ?
C44 N1 Al2 114.19(14) . . ?
Si1 N1 Al2 90.20(8) . . ?
N1 C41 C42 104.8(2) . . ?
N1 C41 H41A 110.8 . . ?
C42 C41 H41A 110.8 . . ?
N1 C41 H41B 110.8 . . ?
C42 C41 H41B 110.8 . . ?
H41A C41 H41B 108.9 . . ?
C43 C42 C41 105.6(2) . . ?
C43 C42 H42A 110.6 . . ?
C41 C42 H42A 110.6 . . ?
C43 C42 H42B 110.6 . . ?
C41 C42 H42B 110.6 . . ?
H42A C42 H42B 108.7 . . ?
C44 C43 C42 104.3(2) . . ?
C44 C43 H43A 110.9 . . ?
C42 C43 H43A 110.9 . . ?
C44 C43 H43B 110.9 . . ?
C42 C43 H43B 110.9 . . ?
H43A C43 H43B 108.9 . . ?
N1 C44 C43 104.15(19) . . ?
N1 C44 H44A 110.9 . . ?
C43 C44 H44A 110.9 . . ?
N1 C44 H44B 110.9 . . ?
C43 C44 H44B 110.9 . . ?
H44A C44 H44B 108.9 . . ?
C32 C31 Si1 173.0(2) . . ?
C31 C32 C321 176.2(3) . . ?
C32 C321 C323 110.5(2) . . ?
C32 C321 C322 107.9(2) . . ?
C323 C321 C322 110.2(2) . . ?
C32 C321 C324 108.1(2) . . ?
C323 C321 C324 110.4(2) . . ?
C322 C321 C324 109.7(2) . . ?
C321 C322 H32A 109.5 . . ?
C321 C322 H32B 109.5 . . ?
H32A C322 H32B 109.5 . . ?
C321 C322 H32C 109.5 . . ?
H32A C322 H32C 109.5 . . ?
H32B C322 H32C 109.5 . . ?
C321 C323 H32D 109.5 . . ?
C321 C323 H32E 109.5 . . ?
H32D C323 H32E 109.5 . . ?
C321 C323 H32F 109.5 . . ?
H32D C323 H32F 109.5 . . ?
H32E C323 H32F 109.5 . . ?
C321 C324 H32G 109.5 . . ?
C321 C324 H32H 109.5 . . ?
H32G C324 H32H 109.5 . . ?
C321 C324 H32I 109.5 . . ?
H32G C324 H32I 109.5 . . ?
H32H C324 H32I 109.5 . . ?
F1 C51 C52 118.7(4) . . ?
F1 C51 C56 121.6(4) . . ?
C52 C51 C56 119.7(4) . . ?
F1 C51 H51A 1.9 . . ?
C52 C51 H51A 120.2 . . ?
C56 C51 H51A 120.1 . . ?
F2 C52 C51 116.3(4) . . ?
F2 C52 C53 122.2(5) . . ?
C51 C52 C53 121.5(4) . . ?
F2 C52 H52A 3.0 . . ?
C51 C52 H52A 119.3 . . ?
C53 C52 H52A 119.3 . . ?
F3 C53 C52 122.2(5) . . ?
F3 C53 C54 119.0(5) . . ?
C52 C53 C54 118.7(4) . . ?
F3 C53 H53A 1.9 . . ?
C52 C53 H53A 120.7 . . ?
C54 C53 H53A 120.6 . . ?
F4 C54 C55 118.2(4) . . ?
F4 C54 C53 122.5(5) . . ?
C55 C54 C53 119.3(4) . . ?
F4 C54 H54A 2.3 . . ?
C55 C54 H54A 120.3 . . ?
C53 C54 H54A 120.4 . . ?
F5 C55 C54 118.0(4) . . ?
F5 C55 C56 120.9(4) . . ?
C54 C55 C56 121.1(4) . . ?
F5 C55 H55A 2.4 . . ?
C54 C55 H55A 119.5 . . ?
C56 C55 H55A 119.4 . . ?
F6 C56 C51 118.7(4) . . ?
F6 C56 C55 121.5(4) . . ?
C51 C56 C55 119.8(4) . . ?
F6 C56 H56A 1.6 . . ?
C51 C56 H56A 120.1 . . ?
C55 C56 H56A 120.1 . . ?
C51 F1 H51A 5.5 . . ?
C52 F2 H52A 7.9 . . ?
C53 F3 H53A 4.9 . . ?
C54 F4 H54A 5.8 . . ?
C55 F5 H55A 7.0 . . ?
C56 F6 H56A 3.9 . . ?

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
C31 Si1 C11 C12 -170.71(18) . . . . ?
C21 Si1 C11 C12 -31.3(2) . . . . ?
N1 Si1 C11 C12 75.6(2) . . . . ?
Al2 Si1 C11 C12 23.6(2) . . . . ?
C31 Si1 C11 Al1 5.79(17) . . . . ?
C21 Si1 C11 Al1 145.17(13) . . . . ?
N1 Si1 C11 Al1 -107.93(13) . . . . ?
Al2 Si1 C11 Al1 -159.89(8) . . . . ?
Si1 C11 C12 C121 -176.7(2) . . . . ?
Al1 C11 C12 C121 6.8(4) . . . . ?
C11 C12 C121 C122 3.5(4) . . . . ?
C11 C12 C121 C123 -118.5(3) . . . . ?
C11 C12 C121 C124 123.3(3) . . . . ?
C31 Si1 C21 C22 72.7(3) . . . . ?
N1 Si1 C21 C22 179.8(3) . . . . ?
C11 Si1 C21 C22 -63.9(3) . . . . ?
Al2 Si1 C21 C22 175.1(3) . . . . ?
C31 Si1 C21 Al2 -102.47(12) . . . . ?
N1 Si1 C21 Al2 4.63(10) . . . . ?
C11 Si1 C21 Al2 120.93(11) . . . . ?
Si1 C21 C22 C221 -2.1(5) . . . . ?
Al2 C21 C22 C221 171.6(2) . . . . ?
C21 C22 C221 C222 -12.7(4) . . . . ?
C21 C22 C221 C224 -134.4(3) . . . . ?
C21 C22 C221 C223 106.8(4) . . . . ?
C31 Si1 N1 C41 -8.09(19) . . . . ?
C21 Si1 N1 C41 -126.56(17) . . . . ?
C11 Si1 N1 C41 109.18(17) . . . . ?
Al2 Si1 N1 C41 -122.18(18) . . . . ?
C31 Si1 N1 C44 -128.72(16) . . . . ?
C21 Si1 N1 C44 112.81(17) . . . . ?
C11 Si1 N1 C44 -11.45(19) . . . . ?
Al2 Si1 N1 C44 117.19(18) . . . . ?
C31 Si1 N1 Al2 114.09(9) . . . . ?
C21 Si1 N1 Al2 -4.38(9) . . . . ?
C11 Si1 N1 Al2 -128.64(9) . . . . ?
C44 N1 C41 C42 -40.0(2) . . . . ?
Si1 N1 C41 C42 -167.76(17) . . . . ?
Al2 N1 C41 C42 85.6(2) . . . . ?
N1 C41 C42 C43 21.0(3) . . . . ?
C41 C42 C43 C44 6.1(3) . . . . ?
C41 N1 C44 C43 44.1(2) . . . . ?
Si1 N1 C44 C43 173.29(15) . . . . ?
Al2 N1 C44 C43 -83.9(2) . . . . ?
C42 C43 C44 N1 -31.0(3) . . . . ?
F1 C51 C52 F2 -0.9(5) . . . . ?
C56 C51 C52 F2 177.8(3) . . . . ?
F1 C51 C52 C53 179.6(3) . . . . ?
C56 C51 C52 C53 -1.6(5) . . . . ?
F2 C52 C53 F3 0.2(6) . . . . ?
C51 C52 C53 F3 179.6(4) . . . . ?
F2 C52 C53 C54 -178.5(3) . . . . ?
C51 C52 C53 C54 0.9(6) . . . . ?
F3 C53 C54 F4 2.5(6) . . . . ?
C52 C53 C54 F4 -178.7(3) . . . . ?
F3 C53 C54 C55 -178.5(3) . . . . ?
C52 C53 C54 C55 0.2(5) . . . . ?
F4 C54 C55 F5 -3.8(5) . . . . ?
C53 C54 C55 F5 177.2(3) . . . . ?
F4 C54 C55 C56 178.3(3) . . . . ?
C53 C54 C55 C56 -0.7(5) . . . . ?
F1 C51 C56 F6 0.6(5) . . . . ?
C52 C51 C56 F6 -178.1(3) . . . . ?
F1 C51 C56 C55 179.8(3) . . . . ?
C52 C51 C56 C55 1.1(5) . . . . ?
F5 C55 C56 F6 1.4(5) . . . . ?
C54 C55 C56 F6 179.3(3) . . . . ?
F5 C55 C56 C51 -177.8(3) . . . . ?
C54 C55 C56 C51 0.1(5) . . . . ?

_refine_diff_density_max         0.530
_refine_diff_density_min         -0.440
_refine_diff_density_rms         0.065

_shelxl_version_number           2013-4

_database_code_depnum_ccdc_archive 'CCDC 992860'
#######################################################################
#
#                 Cambridge Crystallographic Data Centre
#                                CCDC 
# 
#######################################################################
# 
#  This CIF contains data from an original supplementary publication
#  deposited with the CCDC, and may include chemical, crystal,
#  experimental, refinement, atomic coordinates,
#  anisotropic displacement parameters and molecular geometry data,
#  as required by the journal to which it was submitted.
#
#  This CIF is provided on the understanding that it is used for bona
#  fide research purposes only. It may contain copyright material
#  of the CCDC or of third parties, and may not be copied or further
#  disseminated in any form, whether machine-readable or not,
#  except for the purpose of generating routine backup copies
#  on your local computer system.
# 
#  For further information on the CCDC, data deposition and
#  data retrieval see:
#                         www.ccdc.cam.ac.uk
#
#  Bona fide researchers may freely download Mercury and enCIFer
#  from this site to visualise CIF-encoded structures and 
#  to carry out CIF format checking respectively.
#
data_sad

_audit_creation_method           SHELXL-2013
_chemical_name_systematic        
;
 ?
;
_chemical_name_common            ?
_chemical_melting_point          403
_chemical_formula_moiety         ?
_chemical_formula_sum            'C34 H65 Ga2 N Si'
_chemical_formula_weight         655.40

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'
Si Si 0.0817 0.0704 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ga Ga 0.2307 1.6083 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      orthorhombic
_space_group_IT_number           61
_space_group_name_H-M_alt        'P b c a'
_space_group_name_Hall           '-P 2ac 2ab'

_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.
;

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

_cell_length_a                   11.5215(2)
_cell_length_b                   20.1495(4)
_cell_length_c                   32.8729(6)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     7631.5(2)
_cell_formula_units_Z            8
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    9448
_cell_measurement_theta_min      2.38
_cell_measurement_theta_max      30.07

_exptl_crystal_description       block
_exptl_crystal_colour            colourless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.141
_exptl_crystal_F_000             2816
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.320
_exptl_crystal_size_mid          0.220
_exptl_crystal_size_min          0.210
_exptl_absorpt_coefficient_mu    1.464
_shelx_estimated_absorpt_T_min   0.652
_shelx_estimated_absorpt_T_max   0.749
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_correction_T_min  0.8124
_exptl_absorpt_correction_T_max  0.9281
_exptl_absorpt_process_details   SADABS

_exptl_special_details           
;
 ?
;

_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   microsource
_diffrn_measurement_device_type  'multilayer optic'
_diffrn_measurement_method       'CCD area detector'
_diffrn_detector_area_resol_mean 'omega scans'
_diffrn_reflns_number            128527
_diffrn_reflns_av_unetI/netI     0.0174
_diffrn_reflns_av_R_equivalents  0.0383
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_k_min       -28
_diffrn_reflns_limit_k_max       28
_diffrn_reflns_limit_l_min       -46
_diffrn_reflns_limit_l_max       46
_diffrn_reflns_theta_min         3.045
_diffrn_reflns_theta_max         30.034
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measured_fraction_theta_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_point_group_measured_fraction_full 0.998
_reflns_number_total             11143
_reflns_number_gt                9992
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_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.
;

_computing_data_collection       'Bruker SMART'
_computing_cell_refinement       'Bruker SAINT+'
_computing_data_reduction        'Bruker SHELXTL'
_computing_structure_solution    'SHELXS-2013 (Sheldrick, 2013)'
_computing_structure_refinement  'SHELXL-2013 (Sheldrick, 2013)'
_computing_molecular_graphics    'Diamond 3.2i (Crystal Impact, 2012)'
_computing_publication_material  'Bruker SHELXTL'

_refine_special_details          
;
 ?
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0240P)²+4.0563P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         11143
_refine_ls_number_parameters     365
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0286
_refine_ls_R_factor_gt           0.0236
_refine_ls_wR_factor_ref         0.0586
_refine_ls_wR_factor_gt          0.0567
_refine_ls_goodness_of_fit_ref   1.046
_refine_ls_restrained_S_all      1.046
_refine_ls_shift/su_max          0.002
_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_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
Si1 Si 0.97763(3) 0.10194(2) 0.12335(2) 0.01132(6) Uani 1 1 d . . . . .
H1 H 0.8835(12) 0.2552(8) 0.1145(4) 0.019(4) Uiso 1 1 d . . . . .
C11 C 0.87649(9) 0.11775(5) 0.08063(3) 0.01327(19) Uani 1 1 d . . . . .
C12 C 0.80396(10) 0.08621(6) 0.05550(3) 0.0164(2) Uani 1 1 d . . . . .
H12 H 0.7699 0.1138 0.0349 0.020 Uiso 1 1 calc R U . . .
C121 C 0.76621(11) 0.01384(6) 0.05399(4) 0.0197(2) Uani 1 1 d . . . . .
C122 C 0.78922(14) -0.02309(7) 0.09335(4) 0.0311(3) Uani 1 1 d . . . . .
H12A H 0.7589 -0.0673 0.0913 0.037 Uiso 1 1 calc R U . . .
H12B H 0.7520 -0.0003 0.1154 0.037 Uiso 1 1 calc R U . . .
H12C H 0.8713 -0.0250 0.0982 0.037 Uiso 1 1 calc R U . . .
C123 C 0.63572(15) 0.01221(8) 0.04540(7) 0.0482(5) Uani 1 1 d . . . . .
H12D H 0.6097 -0.0330 0.0445 0.058 Uiso 1 1 calc R U . . .
H12E H 0.6204 0.0331 0.0197 0.058 Uiso 1 1 calc R U . . .
H12F H 0.5952 0.0355 0.0666 0.058 Uiso 1 1 calc R U . . .
C124 C 0.8322(2) -0.01988(8) 0.01938(5) 0.0506(5) Uani 1 1 d . . . . .
H12G H 0.9140 -0.0176 0.0247 0.061 Uiso 1 1 calc R U . . .
H12H H 0.8152 0.0023 -0.0058 0.061 Uiso 1 1 calc R U . . .
H12I H 0.8087 -0.0655 0.0175 0.061 Uiso 1 1 calc R U . . .
Ga1 Ga 0.93091(2) 0.21142(2) 0.07708(2) 0.01175(3) Uani 1 1 d . . . . .
C131 C 0.95163(10) 0.26829(6) 0.02829(3) 0.0165(2) Uani 1 1 d . . . . .
C132 C 0.97050(13) 0.22571(7) -0.00945(4) 0.0277(3) Uani 1 1 d . . . . .
H13A H 0.9741 0.2537 -0.0330 0.033 Uiso 1 1 calc R U . . .
H13B H 0.9073 0.1950 -0.0123 0.033 Uiso 1 1 calc R U . . .
H13C H 1.0420 0.2016 -0.0068 0.033 Uiso 1 1 calc R U . . .
C133 C 0.83780(13) 0.30700(8) 0.02350(4) 0.0302(3) Uani 1 1 d . . . . .
H13D H 0.8433 0.3359 0.0004 0.036 Uiso 1 1 calc R U . . .
H13E H 0.8240 0.3329 0.0475 0.036 Uiso 1 1 calc R U . . .
H13F H 0.7749 0.2764 0.0196 0.036 Uiso 1 1 calc R U . . .
C134 C 1.05157(14) 0.31732(8) 0.03288(5) 0.0342(3) Uani 1 1 d . . . . .
H13G H 1.1231 0.2934 0.0360 0.041 Uiso 1 1 calc R U . . .
H13H H 1.0387 0.3446 0.0564 0.041 Uiso 1 1 calc R U . . .
H13I H 1.0559 0.3449 0.0091 0.041 Uiso 1 1 calc R U . . .
C21 C 0.91589(9) 0.13630(6) 0.17072(3) 0.0134(2) Uani 1 1 d . . . . .
C22 C 0.90875(9) 0.11428(6) 0.20934(3) 0.0156(2) Uani 1 1 d . . . . .
H22 H 0.8686 0.1438 0.2274 0.019 Uiso 1 1 calc R U . . .
C221 C 0.95292(10) 0.05076(6) 0.22966(3) 0.0160(2) Uani 1 1 d . . . . .
C222 C 0.91469(11) 0.05144(7) 0.27453(4) 0.0232(3) Uani 1 1 d . . . . .
H22A H 0.9446 0.0905 0.2876 0.028 Uiso 1 1 calc R U . . .
H22B H 0.9441 0.0127 0.2880 0.028 Uiso 1 1 calc R U . . .
H22C H 0.8315 0.0516 0.2760 0.028 Uiso 1 1 calc R U . . .
C223 C 1.08601(10) 0.04890(7) 0.22836(4) 0.0200(2) Uani 1 1 d . . . . .
H22D H 1.1116 0.0485 0.2006 0.024 Uiso 1 1 calc R U . . .
H22E H 1.1132 0.0096 0.2419 0.024 Uiso 1 1 calc R U . . .
H22F H 1.1165 0.0874 0.2418 0.024 Uiso 1 1 calc R U . . .
C224 C 0.90145(11) -0.01092(7) 0.20925(4) 0.0224(2) Uani 1 1 d . . . . .
H22G H 0.8183 -0.0089 0.2105 0.027 Uiso 1 1 calc R U . . .
H22H H 0.9280 -0.0500 0.2232 0.027 Uiso 1 1 calc R U . . .
H22I H 0.9259 -0.0126 0.1813 0.027 Uiso 1 1 calc R U . . .
Ga2 Ga 0.82592(2) 0.22259(2) 0.16406(2) 0.01349(3) Uani 1 1 d . . . . .
C231 C 0.65470(10) 0.20950(7) 0.15207(4) 0.0198(2) Uani 1 1 d . . . . .
C232 C 0.58105(12) 0.23681(9) 0.18713(5) 0.0332(3) Uani 1 1 d . . . . .
H23A H 0.5954 0.2835 0.1901 0.040 Uiso 1 1 calc R U . . .
H23B H 0.6013 0.2143 0.2119 0.040 Uiso 1 1 calc R U . . .
H23C H 0.5003 0.2297 0.1813 0.040 Uiso 1 1 calc R U . . .
C233 C 0.62656(11) 0.13557(7) 0.14789(4) 0.0277(3) Uani 1 1 d . . . . .
H23D H 0.6483 0.1129 0.1724 0.033 Uiso 1 1 calc R U . . .
H23E H 0.6689 0.1174 0.1253 0.033 Uiso 1 1 calc R U . . .
H23F H 0.5448 0.1301 0.1433 0.033 Uiso 1 1 calc R U . . .
C234 C 0.61979(12) 0.24472(9) 0.11282(5) 0.0338(3) Uani 1 1 d . . . . .
H23G H 0.5377 0.2400 0.1087 0.041 Uiso 1 1 calc R U . . .
H23H H 0.6606 0.2253 0.0903 0.041 Uiso 1 1 calc R U . . .
H23I H 0.6391 0.2910 0.1148 0.041 Uiso 1 1 calc R U . . .
C241 C 0.87488(11) 0.30199(6) 0.19783(4) 0.0211(2) Uani 1 1 d . . . . .
C242 C 1.00631(12) 0.30856(7) 0.20137(5) 0.0285(3) Uani 1 1 d . . . . .
H24A H 1.0249 0.3470 0.2173 0.034 Uiso 1 1 calc R U . . .
H24B H 1.0394 0.3131 0.1747 0.034 Uiso 1 1 calc R U . . .
H24C H 1.0374 0.2697 0.2143 0.034 Uiso 1 1 calc R U . . .
C243 C 0.82620(14) 0.29730(9) 0.24113(4) 0.0350(3) Uani 1 1 d . . . . .
H24D H 0.8556 0.2580 0.2541 0.042 Uiso 1 1 calc R U . . .
H24E H 0.7430 0.2953 0.2400 0.042 Uiso 1 1 calc R U . . .
H24F H 0.8495 0.3357 0.2564 0.042 Uiso 1 1 calc R U . . .
C244 C 0.82873(15) 0.36531(7) 0.17769(5) 0.0362(4) Uani 1 1 d . . . . .
H24G H 0.8513 0.4032 0.1935 0.043 Uiso 1 1 calc R U . . .
H24H H 0.7456 0.3633 0.1761 0.043 Uiso 1 1 calc R U . . .
H24I H 0.8604 0.3691 0.1508 0.043 Uiso 1 1 calc R U . . .
C31 C 1.06569(10) 0.02659(6) 0.12273(3) 0.0167(2) Uani 1 1 d . . . . .
C32 C 1.12778(10) -0.02142(6) 0.12170(3) 0.0172(2) Uani 1 1 d . . . . .
C321 C 1.20136(11) -0.08136(6) 0.12230(4) 0.0203(2) Uani 1 1 d . . . . .
C322 C 1.16382(13) -0.12716(7) 0.08748(4) 0.0281(3) Uani 1 1 d . . . . .
H32A H 1.0832 -0.1381 0.0905 0.034 Uiso 1 1 calc R U . . .
H32B H 1.2093 -0.1671 0.0881 0.034 Uiso 1 1 calc R U . . .
H32C H 1.1754 -0.1050 0.0620 0.034 Uiso 1 1 calc R U . . .
C323 C 1.18454(15) -0.11606(8) 0.16332(4) 0.0343(3) Uani 1 1 d . . . . .
H32D H 1.2080 -0.0868 0.1848 0.041 Uiso 1 1 calc R U . . .
H32E H 1.2308 -0.1557 0.1641 0.041 Uiso 1 1 calc R U . . .
H32F H 1.1042 -0.1275 0.1667 0.041 Uiso 1 1 calc R U . . .
C324 C 1.32893(12) -0.06114(8) 0.11721(5) 0.0304(3) Uani 1 1 d . . . . .
H32G H 1.3395 -0.0407 0.0911 0.036 Uiso 1 1 calc R U . . .
H32H H 1.3773 -0.0998 0.1191 0.036 Uiso 1 1 calc R U . . .
H32I H 1.3498 -0.0303 0.1382 0.036 Uiso 1 1 calc R U . . .
N1 N 1.07585(8) 0.16747(5) 0.10512(3) 0.01277(17) Uani 1 1 d . . . . .
C41 C 1.15125(10) 0.20117(6) 0.13529(4) 0.0190(2) Uani 1 1 d . . . . .
H41A H 1.1144 0.2027 0.1615 0.023 Uiso 1 1 calc R U . . .
H41B H 1.1686 0.2457 0.1268 0.023 Uiso 1 1 calc R U . . .
C42 C 1.26133(11) 0.15912(8) 0.13683(4) 0.0277(3) Uani 1 1 d . . . . .
H42A H 1.2520 0.1223 0.1551 0.033 Uiso 1 1 calc R U . . .
H42B H 1.3266 0.1852 0.1455 0.033 Uiso 1 1 calc R U . . .
C43 C 1.27713(11) 0.13522(8) 0.09310(4) 0.0285(3) Uani 1 1 d . . . . .
H43A H 1.2988 0.0892 0.0926 0.034 Uiso 1 1 calc R U . . .
H43B H 1.3362 0.1606 0.0796 0.034 Uiso 1 1 calc R U . . .
C44 C 1.15892(10) 0.14548(6) 0.07243(4) 0.0188(2) Uani 1 1 d . . . . .
H44A H 1.1647 0.1787 0.0516 0.023 Uiso 1 1 calc R U . . .
H44B H 1.1327 0.1048 0.0603 0.023 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
Si1 C31 1.8262(12) . ?
Si1 N1 1.8393(10) . ?
Si1 C21 1.8466(11) . ?
Si1 C11 1.8525(11) . ?
Si1 Ga1 2.7331(3) . ?
C11 C12 1.3359(15) . ?
C11 Ga1 1.9923(11) . ?
C12 C121 1.5224(16) . ?
C12 H12 0.9600 . ?
C121 C122 1.5159(18) . ?
C121 C124 1.528(2) . ?
C121 C123 1.530(2) . ?
C122 H12A 0.9599 . ?
C122 H12B 0.9599 . ?
C122 H12C 0.9599 . ?
C123 H12D 0.9599 . ?
C123 H12E 0.9599 . ?
C123 H12F 0.9599 . ?
C124 H12G 0.9599 . ?
C124 H12H 0.9599 . ?
C124 H12I 0.9599 . ?
Ga1 C131 1.9855(11) . ?
Ga1 N1 2.1031(9) . ?
Ga1 H1 1.608(15) . ?
C131 C132 1.5239(17) . ?
C131 C134 1.5247(18) . ?
C131 C133 1.5339(18) . ?
C132 H13A 0.9599 . ?
C132 H13B 0.9599 . ?
C132 H13C 0.9599 . ?
C133 H13D 0.9599 . ?
C133 H13E 0.9599 . ?
C133 H13F 0.9599 . ?
C134 H13G 0.9599 . ?
C134 H13H 0.9599 . ?
C134 H13I 0.9599 . ?
C21 C22 1.3474(15) . ?
C21 Ga2 2.0360(11) . ?
C22 C221 1.5307(16) . ?
C22 H22 0.9600 . ?
C221 C224 1.5318(17) . ?
C221 C223 1.5344(16) . ?
C221 C222 1.5395(16) . ?
C222 H22A 0.9599 . ?
C222 H22B 0.9599 . ?
C222 H22C 0.9599 . ?
C223 H22D 0.9599 . ?
C223 H22E 0.9599 . ?
C223 H22F 0.9599 . ?
C224 H22G 0.9599 . ?
C224 H22H 0.9599 . ?
C224 H22I 0.9599 . ?
Ga2 C241 2.0273(12) . ?
Ga2 C231 2.0290(12) . ?
Ga2 H1 1.878(15) . ?
C231 C234 1.5263(18) . ?
C231 C233 1.5306(19) . ?
C231 C232 1.5334(18) . ?
C232 H23A 0.9599 . ?
C232 H23B 0.9599 . ?
C232 H23C 0.9599 . ?
C233 H23D 0.9599 . ?
C233 H23E 0.9599 . ?
C233 H23F 0.9599 . ?
C234 H23G 0.9599 . ?
C234 H23H 0.9599 . ?
C234 H23I 0.9599 . ?
C241 C242 1.5245(19) . ?
C241 C244 1.5325(19) . ?
C241 C243 1.5329(19) . ?
C242 H24A 0.9599 . ?
C242 H24B 0.9599 . ?
C242 H24C 0.9599 . ?
C243 H24D 0.9599 . ?
C243 H24E 0.9599 . ?
C243 H24F 0.9599 . ?
C244 H24G 0.9599 . ?
C244 H24H 0.9599 . ?
C244 H24I 0.9599 . ?
C31 C32 1.2036(17) . ?
C32 C321 1.4758(16) . ?
C321 C323 1.5309(18) . ?
C321 C322 1.5328(18) . ?
C321 C324 1.5344(19) . ?
C322 H32A 0.9599 . ?
C322 H32B 0.9599 . ?
C322 H32C 0.9599 . ?
C323 H32D 0.9599 . ?
C323 H32E 0.9599 . ?
C323 H32F 0.9599 . ?
C324 H32G 0.9599 . ?
C324 H32H 0.9599 . ?
C324 H32I 0.9599 . ?
N1 C41 1.4829(14) . ?
N1 C44 1.5058(14) . ?
C41 C42 1.5261(18) . ?
C41 H41A 0.9600 . ?
C41 H41B 0.9600 . ?
C42 C43 1.527(2) . ?
C42 H42A 0.9600 . ?
C42 H42B 0.9600 . ?
C43 C44 1.5361(17) . ?
C43 H43A 0.9600 . ?
C43 H43B 0.9600 . ?
C44 H44A 0.9600 . ?
C44 H44B 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
C31 Si1 N1 104.56(5) . . ?
C31 Si1 C21 122.35(5) . . ?
N1 Si1 C21 104.04(5) . . ?
C31 Si1 C11 118.94(5) . . ?
N1 Si1 C11 90.95(5) . . ?
C21 Si1 C11 109.42(5) . . ?
C31 Si1 Ga1 140.74(4) . . ?
N1 Si1 Ga1 50.24(3) . . ?
C21 Si1 Ga1 95.21(4) . . ?
C11 Si1 Ga1 46.80(3) . . ?
C12 C11 Si1 141.30(9) . . ?
C12 C11 Ga1 127.69(9) . . ?
Si1 C11 Ga1 90.53(5) . . ?
C11 C12 C121 130.88(11) . . ?
C11 C12 H12 114.6 . . ?
C121 C12 H12 114.6 . . ?
C122 C121 C12 113.11(10) . . ?
C122 C121 C124 109.29(13) . . ?
C12 C121 C124 107.94(11) . . ?
C122 C121 C123 108.59(12) . . ?
C12 C121 C123 107.90(11) . . ?
C124 C121 C123 109.99(14) . . ?
C121 C122 H12A 109.5 . . ?
C121 C122 H12B 109.5 . . ?
H12A C122 H12B 109.5 . . ?
C121 C122 H12C 109.5 . . ?
H12A C122 H12C 109.5 . . ?
H12B C122 H12C 109.5 . . ?
C121 C123 H12D 109.5 . . ?
C121 C123 H12E 109.5 . . ?
H12D C123 H12E 109.5 . . ?
C121 C123 H12F 109.5 . . ?
H12D C123 H12F 109.5 . . ?
H12E C123 H12F 109.5 . . ?
C121 C124 H12G 109.5 . . ?
C121 C124 H12H 109.5 . . ?
H12G C124 H12H 109.5 . . ?
C121 C124 H12I 109.5 . . ?
H12G C124 H12I 109.5 . . ?
H12H C124 H12I 109.5 . . ?
C131 Ga1 C11 129.19(5) . . ?
C131 Ga1 N1 120.11(4) . . ?
C11 Ga1 N1 79.94(4) . . ?
C131 Ga1 Si1 153.09(4) . . ?
C11 Ga1 Si1 42.67(3) . . ?
N1 Ga1 Si1 42.25(3) . . ?
C131 Ga1 H1 110.0(5) . . ?
C11 Ga1 H1 111.6(5) . . ?
N1 Ga1 H1 99.5(5) . . ?
Si1 Ga1 H1 94.8(5) . . ?
C132 C131 C134 109.74(11) . . ?
C132 C131 C133 108.95(11) . . ?
C134 C131 C133 109.05(12) . . ?
C132 C131 Ga1 110.47(8) . . ?
C134 C131 Ga1 112.63(8) . . ?
C133 C131 Ga1 105.87(8) . . ?
C131 C132 H13A 109.5 . . ?
C131 C132 H13B 109.5 . . ?
H13A C132 H13B 109.5 . . ?
C131 C132 H13C 109.5 . . ?
H13A C132 H13C 109.5 . . ?
H13B C132 H13C 109.5 . . ?
C131 C133 H13D 109.5 . . ?
C131 C133 H13E 109.5 . . ?
H13D C133 H13E 109.5 . . ?
C131 C133 H13F 109.5 . . ?
H13D C133 H13F 109.5 . . ?
H13E C133 H13F 109.5 . . ?
C131 C134 H13G 109.5 . . ?
C131 C134 H13H 109.5 . . ?
H13G C134 H13H 109.5 . . ?
C131 C134 H13I 109.5 . . ?
H13G C134 H13I 109.5 . . ?
H13H C134 H13I 109.5 . . ?
C22 C21 Si1 133.99(9) . . ?
C22 C21 Ga2 110.58(8) . . ?
Si1 C21 Ga2 115.19(6) . . ?
C21 C22 C221 131.78(11) . . ?
C21 C22 H22 114.1 . . ?
C221 C22 H22 114.1 . . ?
C22 C221 C224 111.01(9) . . ?
C22 C221 C223 109.91(10) . . ?
C224 C221 C223 110.78(10) . . ?
C22 C221 C222 108.39(10) . . ?
C224 C221 C222 108.43(10) . . ?
C223 C221 C222 108.23(9) . . ?
C221 C222 H22A 109.5 . . ?
C221 C222 H22B 109.5 . . ?
H22A C222 H22B 109.5 . . ?
C221 C222 H22C 109.5 . . ?
H22A C222 H22C 109.5 . . ?
H22B C222 H22C 109.5 . . ?
C221 C223 H22D 109.5 . . ?
C221 C223 H22E 109.5 . . ?
H22D C223 H22E 109.5 . . ?
C221 C223 H22F 109.5 . . ?
H22D C223 H22F 109.5 . . ?
H22E C223 H22F 109.5 . . ?
C221 C224 H22G 109.5 . . ?
C221 C224 H22H 109.5 . . ?
H22G C224 H22H 109.5 . . ?
C221 C224 H22I 109.5 . . ?
H22G C224 H22I 109.5 . . ?
H22H C224 H22I 109.5 . . ?
C241 Ga2 C231 118.65(5) . . ?
C241 Ga2 C21 118.25(5) . . ?
C231 Ga2 C21 113.89(5) . . ?
C241 Ga2 H1 95.8(5) . . ?
C231 Ga2 H1 102.7(4) . . ?
C21 Ga2 H1 102.2(5) . . ?
C234 C231 C233 108.72(12) . . ?
C234 C231 C232 108.82(12) . . ?
C233 C231 C232 107.43(11) . . ?
C234 C231 Ga2 111.10(9) . . ?
C233 C231 Ga2 110.48(8) . . ?
C232 C231 Ga2 110.20(9) . . ?
C231 C232 H23A 109.5 . . ?
C231 C232 H23B 109.5 . . ?
H23A C232 H23B 109.5 . . ?
C231 C232 H23C 109.5 . . ?
H23A C232 H23C 109.5 . . ?
H23B C232 H23C 109.5 . . ?
C231 C233 H23D 109.5 . . ?
C231 C233 H23E 109.5 . . ?
H23D C233 H23E 109.5 . . ?
C231 C233 H23F 109.5 . . ?
H23D C233 H23F 109.5 . . ?
H23E C233 H23F 109.5 . . ?
C231 C234 H23G 109.5 . . ?
C231 C234 H23H 109.5 . . ?
H23G C234 H23H 109.5 . . ?
C231 C234 H23I 109.5 . . ?
H23G C234 H23I 109.5 . . ?
H23H C234 H23I 109.5 . . ?
C242 C241 C244 107.77(12) . . ?
C242 C241 C243 107.33(11) . . ?
C244 C241 C243 108.99(12) . . ?
C242 C241 Ga2 112.75(8) . . ?
C244 C241 Ga2 108.91(9) . . ?
C243 C241 Ga2 110.98(10) . . ?
C241 C242 H24A 109.5 . . ?
C241 C242 H24B 109.5 . . ?
H24A C242 H24B 109.5 . . ?
C241 C242 H24C 109.5 . . ?
H24A C242 H24C 109.5 . . ?
H24B C242 H24C 109.5 . . ?
C241 C243 H24D 109.5 . . ?
C241 C243 H24E 109.5 . . ?
H24D C243 H24E 109.5 . . ?
C241 C243 H24F 109.5 . . ?
H24D C243 H24F 109.5 . . ?
H24E C243 H24F 109.5 . . ?
C241 C244 H24G 109.5 . . ?
C241 C244 H24H 109.5 . . ?
H24G C244 H24H 109.5 . . ?
C241 C244 H24I 109.5 . . ?
H24G C244 H24I 109.5 . . ?
H24H C244 H24I 109.5 . . ?
C32 C31 Si1 177.11(11) . . ?
C31 C32 C321 177.24(13) . . ?
C32 C321 C323 108.23(10) . . ?
C32 C321 C322 108.71(10) . . ?
C323 C321 C322 110.31(12) . . ?
C32 C321 C324 109.36(11) . . ?
C323 C321 C324 109.79(12) . . ?
C322 C321 C324 110.41(11) . . ?
C321 C322 H32A 109.5 . . ?
C321 C322 H32B 109.5 . . ?
H32A C322 H32B 109.5 . . ?
C321 C322 H32C 109.5 . . ?
H32A C322 H32C 109.5 . . ?
H32B C322 H32C 109.5 . . ?
C321 C323 H32D 109.5 . . ?
C321 C323 H32E 109.5 . . ?
H32D C323 H32E 109.5 . . ?
C321 C323 H32F 109.5 . . ?
H32D C323 H32F 109.5 . . ?
H32E C323 H32F 109.5 . . ?
C321 C324 H32G 109.5 . . ?
C321 C324 H32H 109.5 . . ?
H32G C324 H32H 109.5 . . ?
C321 C324 H32I 109.5 . . ?
H32G C324 H32I 109.5 . . ?
H32H C324 H32I 109.5 . . ?
C41 N1 C44 103.87(9) . . ?
C41 N1 Si1 118.12(7) . . ?
C44 N1 Si1 114.35(7) . . ?
C41 N1 Ga1 124.44(7) . . ?
C44 N1 Ga1 108.41(7) . . ?
Si1 N1 Ga1 87.51(4) . . ?
N1 C41 C42 104.77(10) . . ?
N1 C41 H41A 110.8 . . ?
C42 C41 H41A 110.8 . . ?
N1 C41 H41B 110.8 . . ?
C42 C41 H41B 110.8 . . ?
H41A C41 H41B 108.9 . . ?
C41 C42 C43 104.05(10) . . ?
C41 C42 H42A 110.9 . . ?
C43 C42 H42A 110.9 . . ?
C41 C42 H42B 110.9 . . ?
C43 C42 H42B 110.9 . . ?
H42A C42 H42B 109.0 . . ?
C42 C43 C44 105.57(10) . . ?
C42 C43 H43A 110.6 . . ?
C44 C43 H43A 110.6 . . ?
C42 C43 H43B 110.6 . . ?
C44 C43 H43B 110.6 . . ?
H43A C43 H43B 108.8 . . ?
N1 C44 C43 106.70(10) . . ?
N1 C44 H44A 110.4 . . ?
C43 C44 H44A 110.4 . . ?
N1 C44 H44B 110.4 . . ?
C43 C44 H44B 110.4 . . ?
H44A C44 H44B 108.6 . . ?

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
C31 Si1 C11 C12 37.74(16) . . . . ?
N1 Si1 C11 C12 144.98(14) . . . . ?
C21 Si1 C11 C12 -109.76(14) . . . . ?
Ga1 Si1 C11 C12 171.72(17) . . . . ?
C31 Si1 C11 Ga1 -133.98(5) . . . . ?
N1 Si1 C11 Ga1 -26.73(4) . . . . ?
C21 Si1 C11 Ga1 78.52(5) . . . . ?
Si1 C11 C12 C121 4.7(2) . . . . ?
Ga1 C11 C12 C121 174.20(10) . . . . ?
C11 C12 C121 C122 18.24(19) . . . . ?
C11 C12 C121 C124 -102.80(17) . . . . ?
C11 C12 C121 C123 138.37(15) . . . . ?
C31 Si1 C21 C22 -8.51(14) . . . . ?
N1 Si1 C21 C22 -126.23(12) . . . . ?
C11 Si1 C21 C22 137.67(12) . . . . ?
Ga1 Si1 C21 C22 -176.50(11) . . . . ?
C31 Si1 C21 Ga2 177.79(5) . . . . ?
N1 Si1 C21 Ga2 60.07(6) . . . . ?
C11 Si1 C21 Ga2 -36.04(7) . . . . ?
Ga1 Si1 C21 Ga2 9.80(5) . . . . ?
Si1 C21 C22 C221 1.6(2) . . . . ?
Ga2 C21 C22 C221 175.49(10) . . . . ?
C21 C22 C221 C224 -58.79(16) . . . . ?
C21 C22 C221 C223 64.12(16) . . . . ?
C21 C22 C221 C222 -177.78(12) . . . . ?
C31 Si1 N1 C41 -86.25(9) . . . . ?
C21 Si1 N1 C41 43.16(9) . . . . ?
C11 Si1 N1 C41 153.46(9) . . . . ?
Ga1 Si1 N1 C41 128.21(9) . . . . ?
C31 Si1 N1 C44 36.44(9) . . . . ?
C21 Si1 N1 C44 165.85(8) . . . . ?
C11 Si1 N1 C44 -83.85(8) . . . . ?
Ga1 Si1 N1 C44 -109.10(8) . . . . ?
C31 Si1 N1 Ga1 145.54(4) . . . . ?
C21 Si1 N1 Ga1 -85.06(4) . . . . ?
C11 Si1 N1 Ga1 25.25(4) . . . . ?
C44 N1 C41 C42 -39.06(12) . . . . ?
Si1 N1 C41 C42 88.77(10) . . . . ?
Ga1 N1 C41 C42 -163.37(8) . . . . ?
N1 C41 C42 C43 35.26(13) . . . . ?
C41 C42 C43 C44 -17.46(14) . . . . ?
C41 N1 C44 C43 27.80(12) . . . . ?
Si1 N1 C44 C43 -102.33(10) . . . . ?
Ga1 N1 C44 C43 161.91(8) . . . . ?
C42 C43 C44 N1 -5.98(14) . . . . ?

_refine_diff_density_max         0.403
_refine_diff_density_min         -0.240
_refine_diff_density_rms         0.052

_shelxl_version_number           2013-4

_database_code_depnum_ccdc_archive 'CCDC 992861'
