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

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_sad
_database_code_depnum_ccdc_archive 'CCDC 1060461'
_audit_update_record             
;
2015-04-18 deposited with the CCDC.
2015-06-05 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
3,3-dichloro-2,4,6,7-tetrakis(trimethylsilyl)-2,4,6,7-tetraaza-1,5-diphospha-3-silabicyclo[3.1.1]heptane
_chemical_name_common            
3,3-dichloro-2,4,6,7-tetrakis(trimethylsilyl)-2,4,6,7-tetraaza-1,5-diphospha-3-silabicyclo[3.1.1]heptane
_chemical_melting_point          ?
_chemical_formula_moiety         'C12 H36 Cl2 N4 P2 Si5'
_chemical_formula_sum            'C12 H36 Cl2 N4 P2 Si5'
_chemical_formula_weight         509.74

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'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   'P 21'
_symmetry_space_group_name_hall  'P 2yb'

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

_cell_length_a                   10.4180(3)
_cell_length_b                   10.3333(3)
_cell_length_c                   12.9878(4)
_cell_angle_alpha                90.00
_cell_angle_beta                 90.7390(10)
_cell_angle_gamma                90.00
_cell_volume                     1398.05(7)
_cell_formula_units_Z            2
_cell_measurement_temperature    153(2)
_cell_measurement_reflns_used    900
_cell_measurement_theta_min      1
_cell_measurement_theta_max      22.5

_exptl_crystal_description       block
_exptl_crystal_colour            colorless
_exptl_crystal_size_max          0.14
_exptl_crystal_size_mid          0.14
_exptl_crystal_size_min          0.08
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.211
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             540
_exptl_absorpt_coefficient_mu    0.567
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.9248
_exptl_absorpt_correction_T_max  0.9560
_exptl_absorpt_process_details   
; 
 Corrections were done with the SADABS program, utilizing the none merged
 raw data obtained from the integration process. Integration and final cell
 refinement were done with SAINT.

 SADABS reports ratio of Tmin/Tmax = 0.86391  

;

_exptl_special_details           
;
 ?
;

_diffrn_ambient_temperature      153(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'rotating anode'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'Omega and Phi scans'
_diffrn_detector_area_resol_mean 80
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            15164
_diffrn_reflns_av_R_equivalents  0.0141
_diffrn_reflns_av_sigmaI/netI    0.0197
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_theta_min         1.57
_diffrn_reflns_theta_max         28.70
_reflns_number_total             7108
_reflns_number_gt                6879
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'APEX2(Bruker AXS, 2007)'
_computing_cell_refinement       'APEX2(Bruker AXS, 2007)'
_computing_data_reduction        'SAINT,SADABS (Bruker AXS, 2007 )'
_computing_structure_solution    
;
SHELXS-97 , G. M. Sheldrick, Acta Cryst. (2008) A64, 112-122
;
_computing_structure_refinement  
;
SHELXL-97, G. M. Sheldrick, Acta Cryst. (2008) A64, 112-122
;
_computing_molecular_graphics    
;
ORTEP3,L.J. Farrugia, J. Appl. Cryst. (1997) 30, 565
;
_computing_publication_material  ?

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

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0474P)²+0.0216P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    noref
_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   0.25(5)
_refine_ls_number_reflns         7108
_refine_ls_number_parameters     264
_refine_ls_number_restraints     1
_refine_ls_R_factor_all          0.0279
_refine_ls_R_factor_gt           0.0267
_refine_ls_wR_factor_ref         0.0687
_refine_ls_wR_factor_gt          0.0677
_refine_ls_goodness_of_fit_ref   1.072
_refine_ls_restrained_S_all      1.072
_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
C1 C 1.0056(2) 1.0474(2) 0.03119(17) 0.0497(5) Uani 1 1 d . . .
H1A H 1.0647 1.0000 0.0768 0.075 Uiso 1 1 calc R . .
H1B H 1.0548 1.1039 -0.0143 0.075 Uiso 1 1 calc R . .
H1C H 0.9556 0.9859 -0.0104 0.075 Uiso 1 1 calc R . .
C2 C 0.99271(17) 1.26388(18) 0.18587(15) 0.0373(4) Uani 1 1 d . . .
H2A H 0.9356 1.3218 0.2237 0.056 Uiso 1 1 calc R . .
H2B H 1.0461 1.3149 0.1394 0.056 Uiso 1 1 calc R . .
H2C H 1.0478 1.2168 0.2347 0.056 Uiso 1 1 calc R . .
C3 C 0.7796(2) 1.2343(2) 0.02451(17) 0.0509(5) Uani 1 1 d . . .
H3A H 0.7260 1.1714 -0.0127 0.076 Uiso 1 1 calc R . .
H3B H 0.8268 1.2871 -0.0249 0.076 Uiso 1 1 calc R . .
H3C H 0.7250 1.2903 0.0663 0.076 Uiso 1 1 calc R . .
C4 C 0.7508(2) 0.54961(19) 0.2371(2) 0.0505(5) Uani 1 1 d . . .
H4A H 0.7611 0.5668 0.1635 0.076 Uiso 1 1 calc R . .
H4B H 0.7207 0.4606 0.2467 0.076 Uiso 1 1 calc R . .
H4C H 0.8335 0.5610 0.2728 0.076 Uiso 1 1 calc R . .
C5 C 0.6070(2) 0.6208(2) 0.42861(16) 0.0470(5) Uani 1 1 d . . .
H5A H 0.6863 0.6366 0.4679 0.070 Uiso 1 1 calc R . .
H5B H 0.5838 0.5291 0.4337 0.070 Uiso 1 1 calc R . .
H5C H 0.5377 0.6739 0.4566 0.070 Uiso 1 1 calc R . .
C6 C 0.47862(19) 0.6545(2) 0.21591(16) 0.0444(4) Uani 1 1 d . . .
H6A H 0.4180 0.7186 0.2422 0.067 Uiso 1 1 calc R . .
H6B H 0.4419 0.5676 0.2229 0.067 Uiso 1 1 calc R . .
H6C H 0.4952 0.6721 0.1432 0.067 Uiso 1 1 calc R . .
C7A C 1.0030(10) 1.0970(13) 0.4653(10) 0.065(3) Uani 0.501(18) 1 d P A 1
H7A1 H 1.0367 1.0242 0.4255 0.098 Uiso 0.501(18) 1 calc PR A 1
H7A2 H 1.0550 1.1084 0.5281 0.098 Uiso 0.501(18) 1 calc PR A 1
H7A3 H 1.0065 1.1761 0.4238 0.098 Uiso 0.501(18) 1 calc PR A 1
C8A C 0.7732(8) 0.9484(10) 0.5982(5) 0.061(2) Uani 0.501(18) 1 d P A 1
H8A1 H 0.7925 0.8598 0.5765 0.091 Uiso 0.501(18) 1 calc PR A 1
H8A2 H 0.6802 0.9584 0.6055 0.091 Uiso 0.501(18) 1 calc PR A 1
H8A3 H 0.8159 0.9660 0.6644 0.091 Uiso 0.501(18) 1 calc PR A 1
C9A C 0.7735(12) 1.195(3) 0.5744(15) 0.192(11) Uani 0.501(18) 1 d P A 1
H9A1 H 0.7931 1.2762 0.5390 0.288 Uiso 0.501(18) 1 calc PR A 1
H9A2 H 0.8151 1.1947 0.6425 0.288 Uiso 0.501(18) 1 calc PR A 1
H9A3 H 0.6804 1.1870 0.5822 0.288 Uiso 0.501(18) 1 calc PR A 1
C7B C 0.9962(11) 1.0356(18) 0.4744(10) 0.077(4) Uani 0.499(18) 1 d P A 2
H7B1 H 1.0287 1.1066 0.4320 0.115 Uiso 0.499(18) 1 calc PR A 2
H7B2 H 1.0054 0.9536 0.4373 0.115 Uiso 0.499(18) 1 calc PR A 2
H7B3 H 1.0452 1.0317 0.5392 0.115 Uiso 0.499(18) 1 calc PR A 2
C8B C 0.824(2) 0.906(2) 0.5724(16) 0.179(10) Uani 0.499(18) 1 d P A 2
H8B1 H 0.7371 0.8933 0.5991 0.269 Uiso 0.499(18) 1 calc PR A 2
H8B2 H 0.8857 0.9071 0.6298 0.269 Uiso 0.499(18) 1 calc PR A 2
H8B3 H 0.8446 0.8346 0.5256 0.269 Uiso 0.499(18) 1 calc PR A 2
C9B C 0.7959(10) 1.2346(7) 0.5429(7) 0.066(3) Uani 0.499(18) 1 d P A 2
H9B1 H 0.7045 1.2430 0.5583 0.099 Uiso 0.499(18) 1 calc PR A 2
H9B2 H 0.8181 1.2946 0.4874 0.099 Uiso 0.499(18) 1 calc PR A 2
H9B3 H 0.8470 1.2552 0.6046 0.099 Uiso 0.499(18) 1 calc PR A 2
C10 C 0.43658(19) 1.0206(2) 0.07334(14) 0.0421(4) Uani 1 1 d . . .
H10A H 0.5129 1.0525 0.0381 0.063 Uiso 1 1 calc R . .
H10B H 0.3595 1.0462 0.0344 0.063 Uiso 1 1 calc R . .
H10C H 0.4403 0.9260 0.0781 0.063 Uiso 1 1 calc R . .
C11 C 0.29515(18) 1.0197(3) 0.27722(17) 0.0510(5) Uani 1 1 d . . .
H11A H 0.3121 0.9279 0.2903 0.076 Uiso 1 1 calc R . .
H11B H 0.2157 1.0286 0.2366 0.076 Uiso 1 1 calc R . .
H11C H 0.2861 1.0652 0.3429 0.076 Uiso 1 1 calc R . .
C12 C 0.4211(2) 1.2699(2) 0.19653(18) 0.0498(5) Uani 1 1 d . . .
H12A H 0.4301 1.3071 0.2656 0.075 Uiso 1 1 calc R . .
H12B H 0.3378 1.2948 0.1667 0.075 Uiso 1 1 calc R . .
H12C H 0.4900 1.3023 0.1529 0.075 Uiso 1 1 calc R . .
N1 N 0.80733(12) 1.04941(12) 0.19616(10) 0.0249(3) Uani 1 1 d . A .
N2 N 0.68931(12) 0.82544(12) 0.28485(9) 0.0251(2) Uani 1 1 d . . .
N3 N 0.73731(13) 1.03952(13) 0.39195(10) 0.0281(3) Uani 1 1 d . A .
N4 N 0.57021(12) 1.05565(13) 0.27476(10) 0.0265(3) Uani 1 1 d . A .
Si1 Si 0.79676(4) 0.88453(4) 0.19825(3) 0.02283(8) Uani 1 1 d . . .
Si2 Si 0.89538(4) 1.14697(4) 0.10977(3) 0.02873(9) Uani 1 1 d . . .
Si3 Si 0.63178(5) 0.66403(4) 0.29081(4) 0.03046(10) Uani 1 1 d . . .
Si4 Si 0.83114(5) 1.06283(7) 0.50107(4) 0.04402(14) Uani 1 1 d . . .
Si5 Si 0.43101(4) 1.09081(4) 0.20479(3) 0.02878(9) Uani 1 1 d . . .
P1 P 0.71551(4) 1.13399(4) 0.28396(3) 0.02494(8) Uani 1 1 d . . .
P2 P 0.61154(4) 0.93719(4) 0.36215(3) 0.02458(8) Uani 1 1 d . A .
Cl1 Cl 0.74705(4) 0.81870(4) 0.05350(3) 0.03535(9) Uani 1 1 d . . .
Cl2 Cl 0.97521(4) 0.80627(4) 0.22624(4) 0.03977(10) Uani 1 1 d . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
C1 Si2 1.857(2) . ?
C1 H1A 0.9800 . ?
C1 H1B 0.9800 . ?
C1 H1C 0.9800 . ?
C2 Si2 1.8544(18) . ?
C2 H2A 0.9800 . ?
C2 H2B 0.9800 . ?
C2 H2C 0.9800 . ?
C3 Si2 1.860(2) . ?
C3 H3A 0.9800 . ?
C3 H3B 0.9800 . ?
C3 H3C 0.9800 . ?
C4 Si3 1.856(2) . ?
C4 H4A 0.9800 . ?
C4 H4B 0.9800 . ?
C4 H4C 0.9800 . ?
C5 Si3 1.866(2) . ?
C5 H5A 0.9800 . ?
C5 H5B 0.9800 . ?
C5 H5C 0.9800 . ?
C6 Si3 1.861(2) . ?
C6 H6A 0.9800 . ?
C6 H6B 0.9800 . ?
C6 H6C 0.9800 . ?
C7A Si4 1.889(10) . ?
C7A H7A1 0.9800 . ?
C7A H7A2 0.9800 . ?
C7A H7A3 0.9800 . ?
C8A Si4 1.837(9) . ?
C8A H8A1 0.9800 . ?
C8A H8A2 0.9800 . ?
C8A H8A3 0.9800 . ?
C9A Si4 1.774(14) . ?
C9A H9A1 0.9800 . ?
C9A H9A2 0.9800 . ?
C9A H9A3 0.9800 . ?
C7B Si4 1.781(12) . ?
C7B H7B1 0.9800 . ?
C7B H7B2 0.9800 . ?
C7B H7B3 0.9800 . ?
C8B Si4 1.871(14) . ?
C8B H8B1 0.9800 . ?
C8B H8B2 0.9800 . ?
C8B H8B3 0.9800 . ?
C9B Si4 1.894(7) . ?
C9B H9B1 0.9800 . ?
C9B H9B2 0.9800 . ?
C9B H9B3 0.9800 . ?
C10 Si5 1.8565(19) . ?
C10 H10A 0.9800 . ?
C10 H10B 0.9800 . ?
C10 H10C 0.9800 . ?
C11 Si5 1.861(2) . ?
C11 H11A 0.9800 . ?
C11 H11B 0.9800 . ?
C11 H11C 0.9800 . ?
C12 Si5 1.856(2) . ?
C12 H12A 0.9800 . ?
C12 H12B 0.9800 . ?
C12 H12C 0.9800 . ?
N1 Si1 1.7075(14) . ?
N1 P1 1.7343(13) . ?
N1 Si2 1.7729(13) . ?
N2 Si1 1.7099(13) . ?
N2 P2 1.7375(13) . ?
N2 Si3 1.7743(14) . ?
N3 P1 1.7214(14) . ?
N3 P2 1.7239(14) . ?
N3 Si4 1.7281(14) . ?
N4 P1 1.7194(13) . ?
N4 P2 1.7203(14) . ?
N4 Si5 1.7398(13) . ?
Si1 Cl2 2.0554(6) . ?
Si1 Cl1 2.0592(5) . ?
P1 P2 2.5235(6) . ?

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
Si2 C1 H1A 109.5 . . ?
Si2 C1 H1B 109.5 . . ?
H1A C1 H1B 109.5 . . ?
Si2 C1 H1C 109.5 . . ?
H1A C1 H1C 109.5 . . ?
H1B C1 H1C 109.5 . . ?
Si2 C2 H2A 109.5 . . ?
Si2 C2 H2B 109.5 . . ?
H2A C2 H2B 109.5 . . ?
Si2 C2 H2C 109.5 . . ?
H2A C2 H2C 109.5 . . ?
H2B C2 H2C 109.5 . . ?
Si2 C3 H3A 109.5 . . ?
Si2 C3 H3B 109.5 . . ?
H3A C3 H3B 109.5 . . ?
Si2 C3 H3C 109.5 . . ?
H3A C3 H3C 109.5 . . ?
H3B C3 H3C 109.5 . . ?
Si3 C4 H4A 109.5 . . ?
Si3 C4 H4B 109.5 . . ?
H4A C4 H4B 109.5 . . ?
Si3 C4 H4C 109.5 . . ?
H4A C4 H4C 109.5 . . ?
H4B C4 H4C 109.5 . . ?
Si3 C5 H5A 109.5 . . ?
Si3 C5 H5B 109.5 . . ?
H5A C5 H5B 109.5 . . ?
Si3 C5 H5C 109.5 . . ?
H5A C5 H5C 109.5 . . ?
H5B C5 H5C 109.5 . . ?
Si3 C6 H6A 109.5 . . ?
Si3 C6 H6B 109.5 . . ?
H6A C6 H6B 109.5 . . ?
Si3 C6 H6C 109.5 . . ?
H6A C6 H6C 109.5 . . ?
H6B C6 H6C 109.5 . . ?
Si4 C7A H7A1 109.5 . . ?
Si4 C7A H7A2 109.5 . . ?
H7A1 C7A H7A2 109.5 . . ?
Si4 C7A H7A3 109.5 . . ?
H7A1 C7A H7A3 109.5 . . ?
H7A2 C7A H7A3 109.5 . . ?
Si4 C8A H8A1 109.5 . . ?
Si4 C8A H8A2 109.5 . . ?
H8A1 C8A H8A2 109.5 . . ?
Si4 C8A H8A3 109.5 . . ?
H8A1 C8A H8A3 109.5 . . ?
H8A2 C8A H8A3 109.5 . . ?
Si4 C9A H9A1 109.5 . . ?
Si4 C9A H9A2 109.5 . . ?
H9A1 C9A H9A2 109.5 . . ?
Si4 C9A H9A3 109.5 . . ?
H9A1 C9A H9A3 109.5 . . ?
H9A2 C9A H9A3 109.5 . . ?
Si4 C7B H7B1 109.5 . . ?
Si4 C7B H7B2 109.5 . . ?
H7B1 C7B H7B2 109.5 . . ?
Si4 C7B H7B3 109.5 . . ?
H7B1 C7B H7B3 109.5 . . ?
H7B2 C7B H7B3 109.5 . . ?
Si4 C8B H8B1 109.5 . . ?
Si4 C8B H8B2 109.5 . . ?
H8B1 C8B H8B2 109.5 . . ?
Si4 C8B H8B3 109.5 . . ?
H8B1 C8B H8B3 109.5 . . ?
H8B2 C8B H8B3 109.5 . . ?
Si4 C9B H9B1 109.5 . . ?
Si4 C9B H9B2 109.5 . . ?
H9B1 C9B H9B2 109.5 . . ?
Si4 C9B H9B3 109.5 . . ?
H9B1 C9B H9B3 109.5 . . ?
H9B2 C9B H9B3 109.5 . . ?
Si5 C10 H10A 109.5 . . ?
Si5 C10 H10B 109.5 . . ?
H10A C10 H10B 109.5 . . ?
Si5 C10 H10C 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
Si5 C11 H11A 109.5 . . ?
Si5 C11 H11B 109.5 . . ?
H11A C11 H11B 109.5 . . ?
Si5 C11 H11C 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
Si5 C12 H12A 109.5 . . ?
Si5 C12 H12B 109.5 . . ?
H12A C12 H12B 109.5 . . ?
Si5 C12 H12C 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
Si1 N1 P1 117.14(7) . . ?
Si1 N1 Si2 127.70(7) . . ?
P1 N1 Si2 115.08(7) . . ?
Si1 N2 P2 117.18(8) . . ?
Si1 N2 Si3 126.07(7) . . ?
P2 N2 Si3 116.06(7) . . ?
P1 N3 P2 94.19(7) . . ?
P1 N3 Si4 131.03(9) . . ?
P2 N3 Si4 133.62(8) . . ?
P1 N4 P2 94.39(6) . . ?
P1 N4 Si5 131.69(8) . . ?
P2 N4 Si5 133.88(8) . . ?
N1 Si1 N2 114.19(6) . . ?
N1 Si1 Cl2 109.69(5) . . ?
N2 Si1 Cl2 109.97(5) . . ?
N1 Si1 Cl1 109.31(5) . . ?
N2 Si1 Cl1 108.87(5) . . ?
Cl2 Si1 Cl1 104.35(2) . . ?
N1 Si2 C2 108.48(7) . . ?
N1 Si2 C1 111.20(8) . . ?
C2 Si2 C1 108.41(10) . . ?
N1 Si2 C3 108.40(8) . . ?
C2 Si2 C3 110.32(10) . . ?
C1 Si2 C3 110.02(12) . . ?
N2 Si3 C4 110.78(8) . . ?
N2 Si3 C6 108.36(8) . . ?
C4 Si3 C6 110.03(11) . . ?
N2 Si3 C5 108.54(8) . . ?
C4 Si3 C5 108.01(11) . . ?
C6 Si3 C5 111.12(10) . . ?
N3 Si4 C9A 110.8(6) . . ?
N3 Si4 C7B 110.8(4) . . ?
C9A Si4 C7B 124.1(6) . . ?
N3 Si4 C8A 106.6(3) . . ?
C9A Si4 C8A 90.6(10) . . ?
C7B Si4 C8A 111.0(6) . . ?
N3 Si4 C8B 105.0(5) . . ?
C9A Si4 C8B 112.7(18) . . ?
C7B Si4 C8B 90.3(13) . . ?
C8A Si4 C8B 23.9(10) . . ?
N3 Si4 C7A 110.6(4) . . ?
C9A Si4 C7A 108.5(6) . . ?
C7B Si4 C7A 20.1(5) . . ?
C8A Si4 C7A 127.6(5) . . ?
C8B Si4 C7A 109.2(10) . . ?
N3 Si4 C9B 104.9(3) . . ?
C9A Si4 C9B 19.3(9) . . ?
C7B Si4 C9B 113.3(6) . . ?
C8A Si4 C9B 109.9(4) . . ?
C8B Si4 C9B 131.4(11) . . ?
C7A Si4 C9B 94.8(5) . . ?
N4 Si5 C12 106.49(8) . . ?
N4 Si5 C10 111.28(8) . . ?
C12 Si5 C10 109.81(10) . . ?
N4 Si5 C11 106.72(8) . . ?
C12 Si5 C11 112.37(12) . . ?
C10 Si5 C11 110.10(11) . . ?
N4 P1 N3 84.06(7) . . ?
N4 P1 N1 102.10(6) . . ?
N3 P1 N1 100.48(6) . . ?
N4 P1 P2 42.82(4) . . ?
N3 P1 P2 42.95(5) . . ?
N1 P1 P2 95.84(4) . . ?
N4 P2 N3 83.96(7) . . ?
N4 P2 N2 101.91(6) . . ?
N3 P2 N2 100.29(7) . . ?
N4 P2 P1 42.79(4) . . ?
N3 P2 P1 42.87(5) . . ?
N2 P2 P1 95.58(4) . . ?

_diffrn_measured_fraction_theta_max 0.999
_diffrn_reflns_theta_full        28.70
_diffrn_measured_fraction_theta_full 0.999
_refine_diff_density_max         0.412
_refine_diff_density_min         -0.143
_refine_diff_density_rms         0.058
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_jjw0127
_database_code_depnum_ccdc_archive 'CCDC 1060462'
_audit_update_record             
;
2015-04-18 deposited with the CCDC.
2015-06-05 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
 ?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C12 H36 Cl11 Ga3 N4 P10 Si5'
_chemical_formula_weight         1285.71

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'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 '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'

_symmetry_cell_setting           ?
_symmetry_space_group_name_H-M   ?

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

_cell_length_a                   13.7339(7)
_cell_length_b                   25.0441(12)
_cell_length_c                   14.6026(7)
_cell_angle_alpha                90.00
_cell_angle_beta                 92.7970(10)
_cell_angle_gamma                90.00
_cell_volume                     5016.6(4)
_cell_formula_units_Z            4
_cell_measurement_temperature    153(2)
_cell_measurement_reflns_used    ?
_cell_measurement_theta_min      ?
_cell_measurement_theta_max      ?

_exptl_crystal_description       ?
_exptl_crystal_colour            ?
_exptl_crystal_size_max          0.21
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.12
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.702
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             2544
_exptl_absorpt_coefficient_mu    2.643
_exptl_absorpt_correction_type   ?
_exptl_absorpt_correction_T_min  0.6068
_exptl_absorpt_correction_T_max  0.7421
_exptl_absorpt_process_details   ?

_exptl_special_details           
;
 ?
;

_diffrn_ambient_temperature      153(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  ?
_diffrn_measurement_method       ?
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            50683
_diffrn_reflns_av_R_equivalents  0.0229
_diffrn_reflns_av_sigmaI/netI    0.0192
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_k_min       -32
_diffrn_reflns_limit_k_max       32
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_theta_min         1.48
_diffrn_reflns_theta_max         27.88
_reflns_number_total             11964
_reflns_number_gt                10240
_reflns_threshold_expression     >2sigma(I)

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

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

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0429P)²+3.8944P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         11964
_refine_ls_number_parameters     418
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0380
_refine_ls_R_factor_gt           0.0306
_refine_ls_wR_factor_ref         0.0811
_refine_ls_wR_factor_gt          0.0773
_refine_ls_goodness_of_fit_ref   1.044
_refine_ls_restrained_S_all      1.044
_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
Ga1 Ga 0.23633(2) 0.312871(10) 0.638396(17) 0.02824(7) Uani 1 1 d . . .
Ga3 Ga -0.74247(2) -0.043155(10) 0.790691(19) 0.02955(7) Uani 1 1 d . . .
Ga2 Ga 0.29954(2) 0.326310(12) 0.893855(19) 0.03361(7) Uani 1 1 d . . .
P6 P -0.40497(4) 0.13276(2) 0.78481(4) 0.02115(11) Uani 1 1 d . . .
Si1 Si -0.23311(4) 0.12289(2) 0.75682(4) 0.01913(11) Uani 1 1 d . . .
P1 P -0.05954(4) 0.11882(2) 0.73254(4) 0.02103(11) Uani 1 1 d . . .
Si2 Si -0.09544(5) 0.13563(2) 0.94359(4) 0.02326(12) Uani 1 1 d . . .
Cl11 Cl -0.71388(5) 0.01125(3) 0.67760(4) 0.03633(14) Uani 1 1 d . . .
Cl1 Cl 0.35467(5) 0.33930(3) 0.74656(4) 0.03408(13) Uani 1 1 d . . .
Si5 Si -0.34450(5) 0.01072(2) 0.79668(5) 0.02713(14) Uani 1 1 d . . .
P2 P 0.04419(5) 0.18030(3) 0.70346(5) 0.02973(13) Uani 1 1 d . . .
P3 P 0.04984(4) 0.05738(2) 0.73410(5) 0.02963(13) Uani 1 1 d . . .
Si3 Si -0.17801(5) 0.10223(3) 0.54392(4) 0.02688(13) Uani 1 1 d . . .
P8 P -0.48129(4) 0.14859(3) 0.90759(4) 0.03015(13) Uani 1 1 d . . .
P7 P -0.53849(5) 0.13002(3) 0.70157(5) 0.03202(14) Uani 1 1 d . . .
Cl5 Cl 0.19843(5) 0.26209(3) 0.87917(5) 0.04393(16) Uani 1 1 d . . .
Cl4 Cl 0.25488(5) 0.22746(2) 0.63004(4) 0.03340(13) Uani 1 1 d . . .
Cl3 Cl 0.09890(5) 0.33846(3) 0.68402(5) 0.04314(16) Uani 1 1 d . . .
Si4 Si -0.31272(5) 0.24473(2) 0.73471(4) 0.02576(13) Uani 1 1 d . . .
Cl8 Cl -0.77839(5) 0.00551(3) 0.90790(4) 0.03810(14) Uani 1 1 d . . .
P5 P 0.14537(5) 0.12523(3) 0.78400(5) 0.03562(15) Uani 1 1 d . . .
P10 P -0.58790(5) 0.18789(3) 0.80779(5) 0.04073(17) Uani 1 1 d . . .
Cl2 Cl 0.28134(7) 0.35577(3) 0.52026(5) 0.0516(2) Uani 1 1 d . . .
P4 P 0.12249(5) 0.11280(3) 0.63761(5) 0.03882(16) Uani 1 1 d . . .
Cl10 Cl -0.61410(5) -0.09094(3) 0.82350(6) 0.05085(19) Uani 1 1 d . . .
Cl9 Cl -0.86533(5) -0.09351(3) 0.75074(5) 0.04406(16) Uani 1 1 d . . .
P9 P -0.60055(5) 0.10274(3) 0.83263(5) 0.03906(16) Uani 1 1 d . . .
N2 N -0.16051(13) 0.11282(7) 0.66475(12) 0.0222(4) Uani 1 1 d . . .
N1 N -0.12605(13) 0.12628(7) 0.82416(12) 0.0209(4) Uani 1 1 d . . .
N3 N -0.31724(13) 0.17462(7) 0.75690(13) 0.0224(4) Uani 1 1 d . . .
N4 N -0.32832(13) 0.08131(7) 0.78281(13) 0.0217(4) Uani 1 1 d . . .
C1 C -0.21697(18) 0.14059(11) 0.99494(16) 0.0323(5) Uani 1 1 d . . .
H1A H -0.2523 0.1715 0.9691 0.048 Uiso 1 1 calc R . .
H1B H -0.2079 0.1448 1.0615 0.048 Uiso 1 1 calc R . .
H1C H -0.2545 0.1080 0.9812 0.048 Uiso 1 1 calc R . .
C3 C -0.02380(19) 0.07769(10) 0.98675(17) 0.0337(5) Uani 1 1 d . . .
H3A H -0.0588 0.0447 0.9705 0.051 Uiso 1 1 calc R . .
H3B H -0.0143 0.0801 1.0536 0.051 Uiso 1 1 calc R . .
H3C H 0.0398 0.0775 0.9591 0.051 Uiso 1 1 calc R . .
C2 C -0.0267(2) 0.19918(11) 0.95757(18) 0.0370(6) Uani 1 1 d . . .
H2A H 0.0372 0.1954 0.9312 0.055 Uiso 1 1 calc R . .
H2B H -0.0178 0.2078 1.0229 0.055 Uiso 1 1 calc R . .
H2C H -0.0631 0.2280 0.9260 0.055 Uiso 1 1 calc R . .
C4 C -0.3118(2) 0.10079(13) 0.52212(19) 0.0424(6) Uani 1 1 d . . .
H4A H -0.3393 0.0710 0.5559 0.064 Uiso 1 1 calc R . .
H4B H -0.3270 0.0961 0.4563 0.064 Uiso 1 1 calc R . .
H4C H -0.3399 0.1344 0.5426 0.064 Uiso 1 1 calc R . .
C12 C -0.4170(2) -0.01346(10) 0.69498(19) 0.0375(6) Uani 1 1 d . . .
H12A H -0.4774 0.0073 0.6877 0.056 Uiso 1 1 calc R . .
H12B H -0.4328 -0.0513 0.7031 0.056 Uiso 1 1 calc R . .
H12C H -0.3792 -0.0092 0.6402 0.056 Uiso 1 1 calc R . .
C9 C -0.1833(2) 0.25736(10) 0.7089(2) 0.0377(6) Uani 1 1 d . . .
H9A H -0.1405 0.2446 0.7600 0.057 Uiso 1 1 calc R . .
H9B H -0.1733 0.2958 0.7005 0.057 Uiso 1 1 calc R . .
H9C H -0.1679 0.2384 0.6528 0.057 Uiso 1 1 calc R . .
C10 C -0.4085(2) -0.00103(12) 0.9036(2) 0.0423(6) Uani 1 1 d . . .
H10A H -0.3762 0.0193 0.9539 0.063 Uiso 1 1 calc R . .
H10B H -0.4066 -0.0392 0.9185 0.063 Uiso 1 1 calc R . .
H10C H -0.4764 0.0106 0.8951 0.063 Uiso 1 1 calc R . .
C8 C -0.3461(2) 0.28075(11) 0.8387(2) 0.0445(7) Uani 1 1 d . . .
H8A H -0.4151 0.2744 0.8494 0.067 Uiso 1 1 calc R . .
H8B H -0.3352 0.3191 0.8305 0.067 Uiso 1 1 calc R . .
H8C H -0.3059 0.2679 0.8914 0.067 Uiso 1 1 calc R . .
C5 C -0.1225(3) 0.15936(13) 0.48498(19) 0.0473(7) Uani 1 1 d . . .
H5A H -0.1517 0.1927 0.5054 0.071 Uiso 1 1 calc R . .
H5B H -0.1343 0.1556 0.4186 0.071 Uiso 1 1 calc R . .
H5C H -0.0522 0.1600 0.4998 0.071 Uiso 1 1 calc R . .
C11 C -0.2180(2) -0.01517(11) 0.8042(2) 0.0452(7) Uani 1 1 d . . .
H11A H -0.1864 -0.0074 0.7470 0.068 Uiso 1 1 calc R . .
H11B H -0.2191 -0.0539 0.8140 0.068 Uiso 1 1 calc R . .
H11C H -0.1816 0.0020 0.8555 0.068 Uiso 1 1 calc R . .
C6 C -0.1185(2) 0.03875(12) 0.5159(2) 0.0458(7) Uani 1 1 d . . .
H6A H -0.0491 0.0406 0.5348 0.069 Uiso 1 1 calc R . .
H6B H -0.1255 0.0325 0.4497 0.069 Uiso 1 1 calc R . .
H6C H -0.1492 0.0094 0.5483 0.069 Uiso 1 1 calc R . .
C7 C -0.3966(2) 0.25942(11) 0.6346(2) 0.0466(7) Uani 1 1 d . . .
H7A H -0.3776 0.2383 0.5819 0.070 Uiso 1 1 calc R . .
H7B H -0.3930 0.2975 0.6197 0.070 Uiso 1 1 calc R . .
H7C H -0.4634 0.2503 0.6493 0.070 Uiso 1 1 calc R . .
Cl6 Cl 0.43468(6) 0.30636(6) 0.96517(6) 0.0771(3) Uani 1 1 d . . .
Cl7 Cl 0.23879(11) 0.40063(4) 0.93011(8) 0.0938(4) Uani 1 1 d . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ga1 Cl3 2.1307(7) . ?
Ga1 Cl2 2.1486(7) . ?
Ga1 Cl4 2.1583(7) . ?
Ga1 Cl1 2.3074(7) . ?
Ga3 Cl9 2.1638(7) . ?
Ga3 Cl10 2.1651(8) . ?
Ga3 Cl8 2.1773(7) . ?
Ga3 Cl11 2.1912(7) . ?
Ga2 Cl7 2.1176(10) . ?
Ga2 Cl5 2.1288(7) . ?
Ga2 Cl6 2.1424(9) . ?
Ga2 Cl1 2.3376(7) . ?
P6 N3 1.6628(19) . ?
P6 N4 1.6650(18) . ?
P6 P7 2.1511(8) . ?
P6 P8 2.1572(8) . ?
P6 Si1 2.4277(8) . ?
Si1 N4 1.7283(19) . ?
Si1 N1 1.7306(19) . ?
Si1 N2 1.7309(19) . ?
Si1 N3 1.7360(19) . ?
Si1 P1 2.4291(8) . ?
P1 N1 1.6669(18) . ?
P1 N2 1.6707(19) . ?
P1 P3 2.1499(8) . ?
P1 P2 2.1540(8) . ?
Si2 N1 1.7892(18) . ?
Si2 C3 1.847(2) . ?
Si2 C2 1.857(3) . ?
Si2 C1 1.867(2) . ?
Si5 N4 1.7944(19) . ?
Si5 C12 1.849(3) . ?
Si5 C10 1.853(3) . ?
Si5 C11 1.853(3) . ?
P2 P4 2.2449(10) . ?
P2 P5 2.2488(10) . ?
P3 P4 2.2459(10) . ?
P3 P5 2.2464(9) . ?
Si3 N2 1.7888(19) . ?
Si3 C6 1.843(3) . ?
Si3 C4 1.849(3) . ?
Si3 C5 1.853(3) . ?
P8 P9 2.2415(9) . ?
P8 P10 2.2424(10) . ?
P7 P9 2.2396(10) . ?
P7 P10 2.2515(10) . ?
Si4 N3 1.7871(19) . ?
Si4 C8 1.843(3) . ?
Si4 C7 1.853(3) . ?
Si4 C9 1.862(3) . ?
P5 P4 2.1678(11) . ?
P10 P9 2.1716(12) . ?
C1 H1A 0.9800 . ?
C1 H1B 0.9800 . ?
C1 H1C 0.9800 . ?
C3 H3A 0.9800 . ?
C3 H3B 0.9800 . ?
C3 H3C 0.9800 . ?
C2 H2A 0.9800 . ?
C2 H2B 0.9800 . ?
C2 H2C 0.9800 . ?
C4 H4A 0.9800 . ?
C4 H4B 0.9800 . ?
C4 H4C 0.9800 . ?
C12 H12A 0.9800 . ?
C12 H12B 0.9800 . ?
C12 H12C 0.9800 . ?
C9 H9A 0.9800 . ?
C9 H9B 0.9800 . ?
C9 H9C 0.9800 . ?
C10 H10A 0.9800 . ?
C10 H10B 0.9800 . ?
C10 H10C 0.9800 . ?
C8 H8A 0.9800 . ?
C8 H8B 0.9800 . ?
C8 H8C 0.9800 . ?
C5 H5A 0.9800 . ?
C5 H5B 0.9800 . ?
C5 H5C 0.9800 . ?
C11 H11A 0.9800 . ?
C11 H11B 0.9800 . ?
C11 H11C 0.9800 . ?
C6 H6A 0.9800 . ?
C6 H6B 0.9800 . ?
C6 H6C 0.9800 . ?
C7 H7A 0.9800 . ?
C7 H7B 0.9800 . ?
C7 H7C 0.9800 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
Cl3 Ga1 Cl2 113.25(3) . . ?
Cl3 Ga1 Cl4 115.12(3) . . ?
Cl2 Ga1 Cl4 114.26(3) . . ?
Cl3 Ga1 Cl1 107.75(3) . . ?
Cl2 Ga1 Cl1 100.69(3) . . ?
Cl4 Ga1 Cl1 104.00(3) . . ?
Cl9 Ga3 Cl10 110.69(3) . . ?
Cl9 Ga3 Cl8 109.55(3) . . ?
Cl10 Ga3 Cl8 110.41(3) . . ?
Cl9 Ga3 Cl11 108.99(3) . . ?
Cl10 Ga3 Cl11 109.66(3) . . ?
Cl8 Ga3 Cl11 107.46(3) . . ?
Cl7 Ga2 Cl5 115.23(5) . . ?
Cl7 Ga2 Cl6 115.21(6) . . ?
Cl5 Ga2 Cl6 114.72(4) . . ?
Cl7 Ga2 Cl1 104.89(3) . . ?
Cl5 Ga2 Cl1 104.56(3) . . ?
Cl6 Ga2 Cl1 99.67(3) . . ?
N3 P6 N4 90.99(9) . . ?
N3 P6 P7 119.30(7) . . ?
N4 P6 P7 119.19(7) . . ?
N3 P6 P8 118.36(7) . . ?
N4 P6 P8 119.34(7) . . ?
P7 P6 P8 92.30(3) . . ?
N3 P6 Si1 45.64(7) . . ?
N4 P6 Si1 45.38(6) . . ?
P7 P6 Si1 135.29(3) . . ?
P8 P6 Si1 132.41(3) . . ?
N4 Si1 N1 122.39(9) . . ?
N4 Si1 N2 123.61(9) . . ?
N1 Si1 N2 86.73(9) . . ?
N4 Si1 N3 86.49(9) . . ?
N1 Si1 N3 120.67(9) . . ?
N2 Si1 N3 121.19(9) . . ?
N4 Si1 P6 43.29(6) . . ?
N1 Si1 P6 134.86(7) . . ?
N2 Si1 P6 138.35(7) . . ?
N3 Si1 P6 43.22(6) . . ?
N4 Si1 P1 139.92(7) . . ?
N1 Si1 P1 43.32(6) . . ?
N2 Si1 P1 43.44(6) . . ?
N3 Si1 P1 133.58(7) . . ?
P6 Si1 P1 176.31(3) . . ?
N1 P1 N2 90.81(9) . . ?
N1 P1 P3 118.80(7) . . ?
N2 P1 P3 120.08(7) . . ?
N1 P1 P2 118.14(7) . . ?
N2 P1 P2 119.03(7) . . ?
P3 P1 P2 92.59(3) . . ?
N1 P1 Si1 45.42(6) . . ?
N2 P1 Si1 45.43(6) . . ?
P3 P1 Si1 135.95(3) . . ?
P2 P1 Si1 131.45(3) . . ?
N1 Si2 C3 109.02(10) . . ?
N1 Si2 C2 108.26(11) . . ?
C3 Si2 C2 112.10(13) . . ?
N1 Si2 C1 103.18(10) . . ?
C3 Si2 C1 112.77(12) . . ?
C2 Si2 C1 111.02(13) . . ?
Ga1 Cl1 Ga2 109.94(3) . . ?
N4 Si5 C12 107.27(11) . . ?
N4 Si5 C10 108.54(12) . . ?
C12 Si5 C10 111.48(13) . . ?
N4 Si5 C11 103.33(11) . . ?
C12 Si5 C11 113.55(14) . . ?
C10 Si5 C11 112.12(15) . . ?
P1 P2 P4 83.19(3) . . ?
P1 P2 P5 81.73(3) . . ?
P4 P2 P5 57.69(3) . . ?
P1 P3 P4 83.26(3) . . ?
P1 P3 P5 81.88(3) . . ?
P4 P3 P5 57.71(3) . . ?
N2 Si3 C6 107.89(12) . . ?
N2 Si3 C4 104.91(11) . . ?
C6 Si3 C4 113.11(14) . . ?
N2 Si3 C5 107.77(11) . . ?
C6 Si3 C5 111.48(16) . . ?
C4 Si3 C5 111.27(15) . . ?
P6 P8 P9 82.71(3) . . ?
P6 P8 P10 82.46(3) . . ?
P9 P8 P10 57.93(3) . . ?
P6 P7 P9 82.89(3) . . ?
P6 P7 P10 82.39(3) . . ?
P9 P7 P10 57.83(3) . . ?
N3 Si4 C8 108.62(12) . . ?
N3 Si4 C7 108.21(11) . . ?
C8 Si4 C7 112.49(15) . . ?
N3 Si4 C9 104.22(10) . . ?
C8 Si4 C9 111.21(14) . . ?
C7 Si4 C9 111.68(15) . . ?
P4 P5 P3 61.14(3) . . ?
P4 P5 P2 61.07(3) . . ?
P3 P5 P2 87.60(3) . . ?
P9 P10 P8 61.01(3) . . ?
P9 P10 P7 60.81(3) . . ?
P8 P10 P7 87.48(3) . . ?
P5 P4 P2 61.25(3) . . ?
P5 P4 P3 61.16(3) . . ?
P2 P4 P3 87.71(3) . . ?
P10 P9 P7 61.36(3) . . ?
P10 P9 P8 61.05(3) . . ?
P7 P9 P8 87.79(3) . . ?
P1 N2 Si1 91.12(9) . . ?
P1 N2 Si3 131.72(11) . . ?
Si1 N2 Si3 137.13(11) . . ?
P1 N1 Si1 91.26(9) . . ?
P1 N1 Si2 133.24(11) . . ?
Si1 N1 Si2 135.48(11) . . ?
P6 N3 Si1 91.14(9) . . ?
P6 N3 Si4 134.10(12) . . ?
Si1 N3 Si4 134.75(11) . . ?
P6 N4 Si1 91.34(9) . . ?
P6 N4 Si5 132.73(11) . . ?
Si1 N4 Si5 135.85(11) . . ?
Si2 C1 H1A 109.5 . . ?
Si2 C1 H1B 109.5 . . ?
H1A C1 H1B 109.5 . . ?
Si2 C1 H1C 109.5 . . ?
H1A C1 H1C 109.5 . . ?
H1B C1 H1C 109.5 . . ?
Si2 C3 H3A 109.5 . . ?
Si2 C3 H3B 109.5 . . ?
H3A C3 H3B 109.5 . . ?
Si2 C3 H3C 109.5 . . ?
H3A C3 H3C 109.5 . . ?
H3B C3 H3C 109.5 . . ?
Si2 C2 H2A 109.5 . . ?
Si2 C2 H2B 109.5 . . ?
H2A C2 H2B 109.5 . . ?
Si2 C2 H2C 109.5 . . ?
H2A C2 H2C 109.5 . . ?
H2B C2 H2C 109.5 . . ?
Si3 C4 H4A 109.5 . . ?
Si3 C4 H4B 109.5 . . ?
H4A C4 H4B 109.5 . . ?
Si3 C4 H4C 109.5 . . ?
H4A C4 H4C 109.5 . . ?
H4B C4 H4C 109.5 . . ?
Si5 C12 H12A 109.5 . . ?
Si5 C12 H12B 109.5 . . ?
H12A C12 H12B 109.5 . . ?
Si5 C12 H12C 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
Si4 C9 H9A 109.5 . . ?
Si4 C9 H9B 109.5 . . ?
H9A C9 H9B 109.5 . . ?
Si4 C9 H9C 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
Si5 C10 H10A 109.5 . . ?
Si5 C10 H10B 109.5 . . ?
H10A C10 H10B 109.5 . . ?
Si5 C10 H10C 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
Si4 C8 H8A 109.5 . . ?
Si4 C8 H8B 109.5 . . ?
H8A C8 H8B 109.5 . . ?
Si4 C8 H8C 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
Si3 C5 H5A 109.5 . . ?
Si3 C5 H5B 109.5 . . ?
H5A C5 H5B 109.5 . . ?
Si3 C5 H5C 109.5 . . ?
H5A C5 H5C 109.5 . . ?
H5B C5 H5C 109.5 . . ?
Si5 C11 H11A 109.5 . . ?
Si5 C11 H11B 109.5 . . ?
H11A C11 H11B 109.5 . . ?
Si5 C11 H11C 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
Si3 C6 H6A 109.5 . . ?
Si3 C6 H6B 109.5 . . ?
H6A C6 H6B 109.5 . . ?
Si3 C6 H6C 109.5 . . ?
H6A C6 H6C 109.5 . . ?
H6B C6 H6C 109.5 . . ?
Si4 C7 H7A 109.5 . . ?
Si4 C7 H7B 109.5 . . ?
H7A C7 H7B 109.5 . . ?
Si4 C7 H7C 109.5 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?

_diffrn_measured_fraction_theta_max 1.000
_diffrn_reflns_theta_full        27.88
_diffrn_measured_fraction_theta_full 1.000
_refine_diff_density_max         1.431
_refine_diff_density_min         -1.001
_refine_diff_density_rms         0.084
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_sad
_database_code_depnum_ccdc_archive 'CCDC 1060463'
_audit_update_record             
;
2015-04-18 deposited with the CCDC.
2015-06-05 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
 ?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C12 H36 N4 P10 Si5, 2(Cl7 Ga2)'
_chemical_formula_sum            'C12 H36 Cl14 Ga4 N4 P10 Si5'
_chemical_formula_weight         1461.78

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'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 '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'

_symmetry_cell_setting           triclinic
_symmetry_space_group_name_H-M   'P -1'
_symmetry_space_group_name_Hall  '-P 1'

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   9.99990(10)
_cell_length_b                   23.7473(3)
_cell_length_c                   26.3333(3)
_cell_angle_alpha                63.8440(10)
_cell_angle_beta                 79.4630(10)
_cell_angle_gamma                86.9690(10)
_cell_volume                     5515.64(11)
_cell_formula_units_Z            4
_cell_measurement_temperature    153(2)
_cell_measurement_reflns_used    ?
_cell_measurement_theta_min      ?
_cell_measurement_theta_max      ?

_exptl_crystal_description       block
_exptl_crystal_colour            colourless
_exptl_crystal_size_max          0.50
_exptl_crystal_size_mid          0.43
_exptl_crystal_size_min          0.33
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.760
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             2872
_exptl_absorpt_coefficient_mu    3.030
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.3126
_exptl_absorpt_correction_T_max  0.4310
_exptl_absorpt_process_details   
; 
 Corrections were done with the SADABS program, utilizing the none merged
 raw data obtained from the integration process. Integration and final cell
 refinement were done with SAINT.

 SADABS reports ratio of Tmin/Tmax =  0.81966 

;
_exptl_special_details           
;
 ?
;

_diffrn_ambient_temperature      153(1)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'microfocus sealed tube'
_diffrn_radiation_monochromator  'HELIOS multilayer optics, Montel mirror'
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'Omega and Phi scans'
_diffrn_detector_area_resol_mean 80
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            68756
_diffrn_reflns_av_R_equivalents  0.0298
_diffrn_reflns_av_sigmaI/netI    0.0389
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_k_min       -31
_diffrn_reflns_limit_k_max       31
_diffrn_reflns_limit_l_min       -34
_diffrn_reflns_limit_l_max       34
_diffrn_reflns_theta_min         0.88
_diffrn_reflns_theta_max         27.88
_reflns_number_total             26252
_reflns_number_gt                19583
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'APEX2 Software Suit (v2012.2-0)'
_computing_cell_refinement       'APEX2 Software Suit (v2012.2-0)'
_computing_data_reduction        'APEX2 Software Suit (v2012.2-0)'
_computing_structure_solution    
;
SHELXS-97 , G. M. Sheldrick, Acta Cryst. (2008) A64, 112-122
;
_computing_structure_refinement  
;
SHELXL-97, G. M. Sheldrick, Acta Cryst. (2008) A64, 112-122
;
_computing_molecular_graphics    
;
ORTEP3,L.J. Farrugia, J. Appl. Cryst. (1997) 30, 565
;

_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)+(0.0438P)²+12.1896P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    noref
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         26252
_refine_ls_number_parameters     999
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0683
_refine_ls_R_factor_gt           0.0468
_refine_ls_wR_factor_ref         0.1208
_refine_ls_wR_factor_gt          0.1074
_refine_ls_goodness_of_fit_ref   1.057
_refine_ls_restrained_S_all      1.057
_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 0.09493(10) 0.75655(5) 0.50824(5) 0.0271(2) Uani 1 1 d . . .
P16 P 0.98162(10) 0.25308(5) 0.88629(4) 0.0273(2) Uani 1 1 d . . .
Ga4 Ga 0.77499(5) 0.93565(2) 0.209902(19) 0.03230(10) Uani 1 1 d . . .
Ga3 Ga 0.45316(5) 0.91679(2) 0.159744(19) 0.03533(11) Uani 1 1 d . . .
Ga7 Ga 0.20364(6) 0.40220(3) 0.15596(2) 0.04786(13) Uani 1 1 d . . .
Ga1 Ga 0.61693(5) 0.58941(2) 0.370727(19) 0.03485(10) Uani 1 1 d . . .
Ga2 Ga 0.28933(5) 0.59435(2) 0.31764(2) 0.03677(11) Uani 1 1 d . . .
P1 P 0.08878(11) 0.65809(5) 0.59429(4) 0.0317(2) Uani 1 1 d . . .
P2 P -0.04557(13) 0.61729(6) 0.67600(5) 0.0453(3) Uani 1 1 d . . .
P4 P 0.14763(15) 0.57430(6) 0.70625(5) 0.0486(3) Uani 1 1 d . . .
P3 P 0.22016(13) 0.57937(5) 0.61846(5) 0.0415(3) Uani 1 1 d . . .
Si5 Si 0.34173(13) 0.76816(7) 0.40586(5) 0.0424(3) Uani 1 1 d . . .
P9 P 0.2023(3) 0.95179(7) 0.30699(7) 0.0850(6) Uani 1 1 d . . .
P10 P 0.0187(2) 0.97946(7) 0.34751(9) 0.0871(7) Uani 1 1 d . . .
P17 P 0.88874(13) 0.31388(6) 0.81431(5) 0.0401(3) Uani 1 1 d . . .
P20 P 0.91952(14) 0.23311(6) 0.79163(5) 0.0470(3) Uani 1 1 d . . .
P19 P 1.08467(14) 0.30149(6) 0.76356(5) 0.0489(3) Uani 1 1 d . . .
P14 P 0.8422(2) 0.25110(8) 1.18051(6) 0.0796(6) Uani 1 1 d . . .
Si8 Si 1.16757(12) 0.13967(6) 1.05417(6) 0.0406(3) Uani 1 1 d . . .
Cl13 Cl 0.85364(14) 0.96176(6) 0.12116(5) 0.0539(3) Uani 1 1 d . . .
Cl11 Cl 0.54492(11) 0.95437(6) 0.21415(5) 0.0417(2) Uani 1 1 d . . .
Cl10 Cl 0.48826(14) 0.98817(7) 0.07309(5) 0.0594(4) Uani 1 1 d . . .
Cl8 Cl 0.55159(14) 0.83072(6) 0.17457(6) 0.0581(3) Uani 1 1 d . . .
Cl9 Cl 0.23998(11) 0.90591(6) 0.19621(5) 0.0468(3) Uani 1 1 d . . .
Cl12 Cl 0.79848(13) 0.83922(5) 0.26651(5) 0.0434(2) Uani 1 1 d . . .
Cl14 Cl 0.83684(12) 0.99723(5) 0.24213(5) 0.0471(3) Uani 1 1 d . . .
Cl22 Cl 0.1545(3) 0.42706(10) 0.07260(7) 0.1066(7) Uani 1 1 d . B .
Cl23 Cl 0.16293(13) 0.47425(6) 0.18425(6) 0.0559(3) Uani 1 1 d . B .
Cl24 Cl 0.12037(14) 0.31218(6) 0.21970(5) 0.0525(3) Uani 1 1 d . B .
Cl1 Cl 0.69566(14) 0.53246(7) 0.44711(5) 0.0606(3) Uani 1 1 d . . .
Cl3 Cl 0.64395(12) 0.68767(6) 0.34452(6) 0.0495(3) Uani 1 1 d . . .
Cl4 Cl 0.38600(11) 0.56661(6) 0.39851(5) 0.0480(3) Uani 1 1 d . . .
Cl7 Cl 0.31410(15) 0.51822(7) 0.29551(7) 0.0676(4) Uani 1 1 d . . .
Cl5 Cl 0.38888(12) 0.68034(5) 0.25457(5) 0.0462(3) Uani 1 1 d . . .
Cl2 Cl 0.67825(12) 0.56361(5) 0.30145(5) 0.0424(2) Uani 1 1 d . . .
Si2 Si 0.26879(11) 0.76291(5) 0.59731(5) 0.0321(2) Uani 1 1 d . . .
P5 P 0.02833(14) 0.52682(5) 0.67514(6) 0.0476(3) Uani 1 1 d . . .
Si3 Si -0.08562(13) 0.64602(6) 0.50954(6) 0.0413(3) Uani 1 1 d . . .
P6 P 0.10197(12) 0.85567(5) 0.42275(5) 0.0348(2) Uani 1 1 d . . .
P8 P 0.19412(16) 0.94697(6) 0.39427(5) 0.0504(3) Uani 1 1 d . . .
P7 P 0.0195(2) 0.88653(7) 0.34516(7) 0.0717(5) Uani 1 1 d . . .
P18 P 1.09716(12) 0.20777(6) 0.83822(5) 0.0409(3) Uani 1 1 d . . .
Si6 Si 0.96120(10) 0.24016(5) 0.98417(4) 0.0241(2) Uani 1 1 d . . .
P11 P 0.93919(11) 0.22637(5) 1.08225(4) 0.0320(2) Uani 1 1 d . . .
P12 P 0.80657(15) 0.17007(6) 1.16144(5) 0.0466(3) Uani 1 1 d . . .
P13 P 1.0445(2) 0.26712(8) 1.12282(7) 0.0685(5) Uani 1 1 d . . .
Si7 Si 0.74610(12) 0.33296(5) 1.01299(5) 0.0362(3) Uani 1 1 d . . .
Si9 Si 1.18975(11) 0.34535(5) 0.89296(5) 0.0301(2) Uani 1 1 d . . .
Si10 Si 0.75607(11) 0.14825(5) 0.97218(5) 0.0302(2) Uani 1 1 d . . .
Cl26 Cl 0.52252(15) 0.52728(6) 0.15398(8) 0.0713(4) Uani 1 1 d . . .
Cl27 Cl 0.74885(19) 0.40112(10) 0.17486(10) 0.0945(6) Uani 1 1 d . . .
Cl6 Cl 0.08073(12) 0.60637(6) 0.34947(6) 0.0513(3) Uani 1 1 d . . .
Si4 Si -0.14547(13) 0.84733(7) 0.52117(8) 0.0555(4) Uani 1 1 d . . .
N2 N 0.0224(3) 0.68240(15) 0.53462(15) 0.0334(7) Uani 1 1 d . . .
N1 N 0.1602(3) 0.72916(14) 0.57072(13) 0.0289(7) Uani 1 1 d . . .
N4 N 0.1968(3) 0.79250(15) 0.44101(14) 0.0313(7) Uani 1 1 d . . .
P15 P 0.9848(2) 0.17557(9) 1.20003(7) 0.0827(6) Uani 1 1 d . . .
N6 N 1.0319(3) 0.19329(15) 1.04384(14) 0.0293(7) Uani 1 1 d . . .
N8 N 0.8842(3) 0.20799(14) 0.94887(13) 0.0264(6) Uani 1 1 d . . .
C1 C 0.4350(6) 0.7248(4) 0.5956(3) 0.082(2) Uani 1 1 d . . .
H1A H 0.4253 0.6811 0.6251 0.123 Uiso 1 1 calc R . .
H1B H 0.5022 0.7472 0.6033 0.123 Uiso 1 1 calc R . .
H1C H 0.4654 0.7259 0.5577 0.123 Uiso 1 1 calc R . .
C3 C 0.2840(6) 0.8467(2) 0.5427(2) 0.0596(16) Uani 1 1 d . . .
H3A H 0.3149 0.8490 0.5043 0.089 Uiso 1 1 calc R . .
H3B H 0.3499 0.8693 0.5509 0.089 Uiso 1 1 calc R . .
H3C H 0.1952 0.8660 0.5441 0.089 Uiso 1 1 calc R . .
C2 C 0.1931(6) 0.7495(3) 0.6709(2) 0.0697(19) Uani 1 1 d . . .
H2A H 0.1009 0.7656 0.6714 0.104 Uiso 1 1 calc R . .
H2B H 0.2489 0.7713 0.6841 0.104 Uiso 1 1 calc R . .
H2C H 0.1892 0.7044 0.6964 0.104 Uiso 1 1 calc R . .
C4 C -0.0934(6) 0.7061(2) 0.4350(2) 0.0541(13) Uani 1 1 d . . .
H4A H -0.1313 0.7446 0.4360 0.081 Uiso 1 1 calc R . .
H4B H -0.1515 0.6900 0.4178 0.081 Uiso 1 1 calc R . .
H4C H -0.0016 0.7153 0.4119 0.081 Uiso 1 1 calc R . .
C5 C -0.2552(5) 0.6298(3) 0.5565(3) 0.0703(17) Uani 1 1 d . . .
H5A H -0.2456 0.6023 0.5963 0.105 Uiso 1 1 calc R . .
H5B H -0.3150 0.6091 0.5438 0.105 Uiso 1 1 calc R . .
H5C H -0.2945 0.6694 0.5542 0.105 Uiso 1 1 calc R . .
C6 C -0.0067(6) 0.5733(2) 0.5116(3) 0.0588(14) Uani 1 1 d . . .
H6A H 0.0873 0.5827 0.4907 0.088 Uiso 1 1 calc R . .
H6B H -0.0584 0.5555 0.4936 0.088 Uiso 1 1 calc R . .
H6C H -0.0070 0.5429 0.5516 0.088 Uiso 1 1 calc R . .
N3 N 0.0004(3) 0.82365(15) 0.48660(16) 0.0338(7) Uani 1 1 d . . .
C10 C 0.3715(6) 0.6876(2) 0.46205(19) 0.0583(15) Uani 1 1 d . . .
H10A H 0.3789 0.6900 0.4977 0.087 Uiso 1 1 calc R . .
H10B H 0.4559 0.6718 0.4484 0.087 Uiso 1 1 calc R . .
H10C H 0.2951 0.6593 0.4694 0.087 Uiso 1 1 calc R . .
C11 C 0.3003(6) 0.7669(3) 0.3416(2) 0.0654(16) Uani 1 1 d . . .
H11A H 0.2259 0.7362 0.3528 0.098 Uiso 1 1 calc R . .
H11B H 0.3806 0.7553 0.3212 0.098 Uiso 1 1 calc R . .
H11C H 0.2723 0.8087 0.3164 0.098 Uiso 1 1 calc R . .
N5 N 0.8684(3) 0.27277(14) 1.02604(13) 0.0273(6) Uani 1 1 d . . .
C15 C 0.7280(5) 0.3571(2) 0.9366(2) 0.0518(13) Uani 1 1 d . . .
H15A H 0.8170 0.3710 0.9116 0.078 Uiso 1 1 calc R . .
H15B H 0.6647 0.3915 0.9250 0.078 Uiso 1 1 calc R . .
H15C H 0.6929 0.3213 0.9333 0.078 Uiso 1 1 calc R . .
C14 C 0.8118(7) 0.3976(3) 1.0224(3) 0.0770(19) Uani 1 1 d . . .
H14A H 0.8232 0.3828 1.0624 0.115 Uiso 1 1 calc R . .
H14B H 0.7475 0.4318 1.0129 0.115 Uiso 1 1 calc R . .
H14C H 0.8999 0.4129 0.9970 0.115 Uiso 1 1 calc R . .
C13 C 0.5831(6) 0.2989(3) 1.0619(3) 0.0690(17) Uani 1 1 d . . .
H13A H 0.5528 0.2642 1.0557 0.104 Uiso 1 1 calc R . .
H13B H 0.5144 0.3312 1.0539 0.104 Uiso 1 1 calc R . .
H13C H 0.5958 0.2833 1.1018 0.104 Uiso 1 1 calc R . .
C16 C 1.3266(4) 0.1852(2) 1.0431(2) 0.0439(11) Uani 1 1 d . . .
H16A H 1.3504 0.2154 1.0026 0.066 Uiso 1 1 calc R . .
H16B H 1.4012 0.1563 1.0540 0.066 Uiso 1 1 calc R . .
H16C H 1.3114 0.2078 1.0670 0.066 Uiso 1 1 calc R . .
N7 N 1.0602(3) 0.28520(15) 0.91841(13) 0.0283(7) Uani 1 1 d . . .
C19 C 1.2085(4) 0.3532(2) 0.95893(18) 0.0388(10) Uani 1 1 d . . .
H19A H 1.1212 0.3645 0.9754 0.058 Uiso 1 1 calc R . .
H19B H 1.2774 0.3861 0.9488 0.058 Uiso 1 1 calc R . .
H19C H 1.2368 0.3133 0.9872 0.058 Uiso 1 1 calc R . .
C21 C 1.3455(4) 0.3182(2) 0.8618(2) 0.0440(11) Uani 1 1 d . . .
H21A H 1.3694 0.2775 0.8905 0.066 Uiso 1 1 calc R . .
H21B H 1.4202 0.3488 0.8503 0.066 Uiso 1 1 calc R . .
H21C H 1.3294 0.3139 0.8281 0.066 Uiso 1 1 calc R . .
C20 C 1.1285(5) 0.4183(2) 0.8395(2) 0.0428(10) Uani 1 1 d . . .
H20A H 1.1044 0.4105 0.8087 0.064 Uiso 1 1 calc R . .
H20B H 1.2004 0.4511 0.8233 0.064 Uiso 1 1 calc R . .
H20C H 1.0481 0.4319 0.8582 0.064 Uiso 1 1 calc R . .
C24 C 0.8266(5) 0.0817(2) 0.9586(2) 0.0463(11) Uani 1 1 d . . .
H24A H 0.8605 0.0963 0.9174 0.069 Uiso 1 1 calc R . .
H24B H 0.7552 0.0492 0.9715 0.069 Uiso 1 1 calc R . .
H24C H 0.9016 0.0643 0.9798 0.069 Uiso 1 1 calc R . .
C22 C 0.7059(4) 0.12579(19) 1.05033(17) 0.0341(9) Uani 1 1 d . . .
H22A H 0.7854 0.1106 1.0691 0.051 Uiso 1 1 calc R . .
H22B H 0.6350 0.0925 1.0673 0.051 Uiso 1 1 calc R . .
H22C H 0.6710 0.1624 1.0559 0.051 Uiso 1 1 calc R . .
C23 C 0.6156(4) 0.1837(2) 0.9320(2) 0.0438(11) Uani 1 1 d . . .
H23A H 0.5829 0.2200 0.9385 0.066 Uiso 1 1 calc R . .
H23B H 0.5409 0.1526 0.9454 0.066 Uiso 1 1 calc R . .
H23C H 0.6487 0.1973 0.8908 0.066 Uiso 1 1 calc R . .
C8 C -0.1088(7) 0.9254(3) 0.5151(3) 0.0728(18) Uani 1 1 d . . .
H8A H -0.0267 0.9240 0.5309 0.109 Uiso 1 1 calc R . .
H8B H -0.1858 0.9377 0.5366 0.109 Uiso 1 1 calc R . .
H8C H -0.0945 0.9560 0.4745 0.109 Uiso 1 1 calc R . .
C7 C -0.1727(6) 0.7853(3) 0.5959(3) 0.081(2) Uani 1 1 d . . .
H7A H -0.1852 0.7446 0.5961 0.121 Uiso 1 1 calc R . .
H7B H -0.2540 0.7941 0.6181 0.121 Uiso 1 1 calc R . .
H7C H -0.0934 0.7843 0.6133 0.121 Uiso 1 1 calc R . .
C17 C 1.1830(8) 0.1155(4) 0.9951(4) 0.118(4) Uani 1 1 d . . .
H17A H 1.1015 0.0909 1.0005 0.177 Uiso 1 1 calc R . .
H17B H 1.2634 0.0899 0.9955 0.177 Uiso 1 1 calc R . .
H17C H 1.1923 0.1529 0.9580 0.177 Uiso 1 1 calc R . .
Ga5A Ga 0.35252(13) 0.16547(7) 0.25879(5) 0.0371(3) Uani 0.4789(19) 1 d P A 1
Ga6A Ga 0.56555(13) 0.06622(7) 0.37498(7) 0.0425(3) Uani 0.4789(19) 1 d P A 1
L15A Cl 0.7816(3) 0.06748(18) 0.3654(2) 0.0746(11) Uani 0.4789(19) 1 d P A 1
L16A Cl 0.4822(3) 0.15433(18) 0.3674(2) 0.0840(13) Uani 0.4789(19) 1 d P A 1
L20A Cl 0.3349(3) 0.1921(2) 0.17160(12) 0.0858(13) Uani 0.4789(19) 1 d P A 1
L17A Cl 0.4599(4) -0.0113(2) 0.44775(15) 0.0866(11) Uani 0.4789(19) 1 d P A 1
L21A Cl 0.4788(3) 0.22597(13) 0.27064(16) 0.0591(8) Uani 0.4789(19) 1 d P A 1
Ga8A Ga 0.54014(9) 0.42820(3) 0.19136(3) 0.0425(2) Uani 0.880(2) 1 d P B 1
L28A Cl 0.4381(3) 0.37940(9) 0.27781(7) 0.0993(9) Uani 0.880(2) 1 d P B 1
L25A Cl 0.43287(15) 0.39453(8) 0.13866(8) 0.0587(5) Uani 0.880(2) 1 d P B 1
Ga5B Ga 0.36627(15) 0.13088(12) 0.25556(5) 0.0767(6) Uani 0.5211(19) 1 d P A 2
L21B Cl 0.4522(7) 0.2205(2) 0.2220(3) 0.212(5) Uani 0.5211(19) 1 d P A 2
Ga6B Ga 0.58377(11) 0.05410(5) 0.35224(7) 0.0429(3) Uani 0.5211(19) 1 d P A 2
L15B Cl 0.7731(2) 0.10641(10) 0.31777(11) 0.0434(5) Uani 0.5211(19) 1 d P A 2
L16B Cl 0.4464(2) 0.08282(17) 0.40834(11) 0.0671(9) Uani 0.5211(19) 1 d P A 2
L20B Cl 0.3382(6) 0.0980(4) 0.1929(2) 0.195(4) Uani 0.5211(19) 1 d P A 2
L17B Cl 0.6059(3) -0.04415(13) 0.3857(2) 0.1151(18) Uani 0.5211(19) 1 d P A 2
Ga8B Ga 0.5961(6) 0.4474(5) 0.1560(7) 0.130(5) Uani 0.120(2) 1 d P B 2
L28B Cl 0.5602(19) 0.5081(8) 0.0704(15) 0.188(16) Uani 0.120(2) 1 d P B 2
L25B Cl 0.4426(11) 0.3656(6) 0.1874(7) 0.063(4) Uani 0.120(2) 1 d P B 2
Cl18 Cl 0.4985(2) 0.06585(10) 0.28538(10) 0.1176(9) Uani 1 1 d . . .
C12 C 0.4839(6) 0.8229(4) 0.3879(3) 0.085(2) Uani 1 1 d . . .
H12A H 0.4561 0.8660 0.3663 0.128 Uiso 1 1 calc R . .
H12B H 0.5612 0.8134 0.3645 0.128 Uiso 1 1 calc R . .
H12C H 0.5105 0.8188 0.4234 0.128 Uiso 1 1 calc R . .
C18 C 1.1284(6) 0.0747(3) 1.1261(4) 0.121(4) Uani 1 1 d . . .
H18A H 1.1159 0.0911 1.1549 0.182 Uiso 1 1 calc R . .
H18B H 1.2036 0.0456 1.1324 0.182 Uiso 1 1 calc R . .
H18C H 1.0447 0.0525 1.1297 0.182 Uiso 1 1 calc R . .
C9 C -0.2870(7) 0.8450(6) 0.4855(5) 0.167(6) Uani 1 1 d . . .
H9A H -0.2663 0.8745 0.4446 0.251 Uiso 1 1 calc R . .
H9B H -0.3713 0.8568 0.5035 0.251 Uiso 1 1 calc R . .
H9C H -0.2984 0.8024 0.4894 0.251 Uiso 1 1 calc R . .
Cl19 Cl 0.17652(15) 0.12109(9) 0.31936(6) 0.0786(5) Uani 1 1 d . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Si1 N1 1.720(3) . ?
Si1 N2 1.727(3) . ?
Si1 N3 1.731(3) . ?
Si1 N4 1.732(3) . ?
Si1 P1 2.4287(15) . ?
Si1 P6 2.4293(15) . ?
P16 N8 1.667(3) . ?
P16 N7 1.671(3) . ?
P16 P18 2.1514(14) . ?
P16 P17 2.1515(15) . ?
P16 Si6 2.4283(14) . ?
Ga4 Cl13 2.1368(12) . ?
Ga4 Cl12 2.1407(11) . ?
Ga4 Cl14 2.1502(11) . ?
Ga4 Cl11 2.3119(11) . ?
Ga3 Cl8 2.1268(14) . ?
Ga3 Cl10 2.1361(12) . ?
Ga3 Cl9 2.1504(12) . ?
Ga3 Cl11 2.3207(10) . ?
Ga7 Cl23 2.1420(14) . ?
Ga7 Cl24 2.1433(12) . ?
Ga7 Cl22 2.1514(17) . ?
Ga7 L25A 2.2676(16) . ?
Ga7 L25B 2.649(12) . ?
Ga1 Cl1 2.1361(13) . ?
Ga1 Cl3 2.1385(12) . ?
Ga1 Cl2 2.1485(11) . ?
Ga1 Cl4 2.3079(12) . ?
Ga2 Cl7 2.1210(13) . ?
Ga2 Cl5 2.1306(12) . ?
Ga2 Cl6 2.1550(12) . ?
Ga2 Cl4 2.3137(13) . ?
P1 N2 1.669(4) . ?
P1 N1 1.669(3) . ?
P1 P2 2.1485(15) . ?
P1 P3 2.1500(16) . ?
P2 P5 2.2431(17) . ?
P2 P4 2.246(2) . ?
P4 P5 2.1634(17) . ?
P4 P3 2.2440(17) . ?
P3 P5 2.2425(18) . ?
Si5 N4 1.785(3) . ?
Si5 C11 1.827(5) . ?
Si5 C12 1.829(6) . ?
Si5 C10 1.882(5) . ?
P9 P10 2.171(3) . ?
P9 P8 2.2364(19) . ?
P9 P7 2.238(3) . ?
P10 P7 2.234(2) . ?
P10 P8 2.236(2) . ?
P17 P20 2.2385(16) . ?
P17 P19 2.2449(18) . ?
P20 P19 2.1654(18) . ?
P20 P18 2.2487(18) . ?
P19 P18 2.2443(19) . ?
P14 P15 2.168(3) . ?
P14 P13 2.234(3) . ?
P14 P12 2.252(2) . ?
Si8 N6 1.784(3) . ?
Si8 C18 1.827(6) . ?
Si8 C17 1.862(7) . ?
Si8 C16 1.876(4) . ?
Si2 N1 1.783(3) . ?
Si2 C2 1.837(5) . ?
Si2 C1 1.853(6) . ?
Si2 C3 1.866(5) . ?
Si3 N2 1.792(3) . ?
Si3 C6 1.843(5) . ?
Si3 C5 1.853(6) . ?
Si3 C4 1.863(5) . ?
P6 N4 1.662(3) . ?
P6 N3 1.664(4) . ?
P6 P7 2.1504(17) . ?
P6 P8 2.1533(16) . ?
Si6 N7 1.725(3) . ?
Si6 N5 1.726(3) . ?
Si6 N6 1.729(3) . ?
Si6 N8 1.729(3) . ?
Si6 P11 2.4250(14) . ?
P11 N5 1.664(3) . ?
P11 N6 1.667(3) . ?
P11 P12 2.1476(16) . ?
P11 P13 2.1488(16) . ?
P12 P15 2.243(2) . ?
P13 P15 2.239(2) . ?
Si7 N5 1.787(3) . ?
Si7 C14 1.831(5) . ?
Si7 C13 1.850(5) . ?
Si7 C15 1.874(5) . ?
Si9 N7 1.789(3) . ?
Si9 C21 1.845(4) . ?
Si9 C20 1.846(5) . ?
Si9 C19 1.870(4) . ?
Si10 N8 1.780(3) . ?
Si10 C24 1.847(4) . ?
Si10 C23 1.854(4) . ?
Si10 C22 1.858(4) . ?
Cl26 Ga8B 1.980(8) . ?
Cl26 Ga8A 2.1245(15) . ?
Cl26 L28B 2.40(4) . ?
Cl27 Ga8B 1.845(10) . ?
Cl27 Ga8A 2.1750(19) . ?
Si4 N3 1.775(4) . ?
Si4 C8 1.839(6) . ?
Si4 C7 1.846(7) . ?
Si4 C9 1.853(7) . ?
C1 H1A 0.9800 . ?
C1 H1B 0.9800 . ?
C1 H1C 0.9800 . ?
C3 H3A 0.9800 . ?
C3 H3B 0.9800 . ?
C3 H3C 0.9800 . ?
C2 H2A 0.9800 . ?
C2 H2B 0.9800 . ?
C2 H2C 0.9800 . ?
C4 H4A 0.9800 . ?
C4 H4B 0.9800 . ?
C4 H4C 0.9800 . ?
C5 H5A 0.9800 . ?
C5 H5B 0.9800 . ?
C5 H5C 0.9800 . ?
C6 H6A 0.9800 . ?
C6 H6B 0.9800 . ?
C6 H6C 0.9800 . ?
C10 H10A 0.9800 . ?
C10 H10B 0.9800 . ?
C10 H10C 0.9800 . ?
C11 H11A 0.9800 . ?
C11 H11B 0.9800 . ?
C11 H11C 0.9800 . ?
C15 H15A 0.9800 . ?
C15 H15B 0.9800 . ?
C15 H15C 0.9800 . ?
C14 H14A 0.9800 . ?
C14 H14B 0.9800 . ?
C14 H14C 0.9800 . ?
C13 H13A 0.9800 . ?
C13 H13B 0.9800 . ?
C13 H13C 0.9800 . ?
C16 H16A 0.9800 . ?
C16 H16B 0.9800 . ?
C16 H16C 0.9800 . ?
C19 H19A 0.9800 . ?
C19 H19B 0.9800 . ?
C19 H19C 0.9800 . ?
C21 H21A 0.9800 . ?
C21 H21B 0.9800 . ?
C21 H21C 0.9800 . ?
C20 H20A 0.9800 . ?
C20 H20B 0.9800 . ?
C20 H20C 0.9800 . ?
C24 H24A 0.9800 . ?
C24 H24B 0.9800 . ?
C24 H24C 0.9800 . ?
C22 H22A 0.9800 . ?
C22 H22B 0.9800 . ?
C22 H22C 0.9800 . ?
C23 H23A 0.9800 . ?
C23 H23B 0.9800 . ?
C23 H23C 0.9800 . ?
C8 H8A 0.9800 . ?
C8 H8B 0.9800 . ?
C8 H8C 0.9800 . ?
C7 H7A 0.9800 . ?
C7 H7B 0.9800 . ?
C7 H7C 0.9800 . ?
C17 H17A 0.9800 . ?
C17 H17B 0.9800 . ?
C17 H17C 0.9800 . ?
Ga5A Cl19 2.1070(18) . ?
Ga5A L21A 2.118(3) . ?
Ga5A L20A 2.135(3) . ?
Ga5A Cl18 2.601(3) . ?
Ga6A L17A 2.128(4) . ?
Ga6A L15A 2.129(3) . ?
Ga6A L16A 2.149(3) . ?
Ga6A Cl18 2.572(3) . ?
L16A L21A 2.364(6) . ?
Ga8A L28A 2.125(2) . ?
Ga8A L25A 2.3085(16) . ?
Ga5B Cl18 1.961(3) . ?
Ga5B L21B 2.076(6) . ?
Ga5B L20B 2.176(6) . ?
Ga5B Cl19 2.2390(19) . ?
Ga6B Cl18 1.999(3) . ?
Ga6B L17B 2.115(3) . ?
Ga6B L15B 2.140(2) . ?
Ga6B L16B 2.140(3) . ?
Ga8B L28B 2.16(3) . ?
Ga8B L25B 2.292(14) . ?
C12 H12A 0.9800 . ?
C12 H12B 0.9800 . ?
C12 H12C 0.9800 . ?
C18 H18A 0.9800 . ?
C18 H18B 0.9800 . ?
C18 H18C 0.9800 . ?
C9 H9A 0.9800 . ?
C9 H9B 0.9800 . ?
C9 H9C 0.9800 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
N1 Si1 N2 86.76(16) . . ?
N1 Si1 N3 121.07(16) . . ?
N2 Si1 N3 122.46(17) . . ?
N1 Si1 N4 122.18(16) . . ?
N2 Si1 N4 122.32(16) . . ?
N3 Si1 N4 86.34(17) . . ?
N1 Si1 P1 43.38(10) . . ?
N2 Si1 P1 43.38(12) . . ?
N3 Si1 P1 136.59(13) . . ?
N4 Si1 P1 137.06(12) . . ?
N1 Si1 P6 135.98(11) . . ?
N2 Si1 P6 137.26(13) . . ?
N3 Si1 P6 43.20(12) . . ?
N4 Si1 P6 43.14(11) . . ?
P1 Si1 P6 179.33(6) . . ?
N8 P16 N7 90.64(15) . . ?
N8 P16 P18 117.94(12) . . ?
N7 P16 P18 120.26(12) . . ?
N8 P16 P17 119.86(12) . . ?
N7 P16 P17 118.67(13) . . ?
P18 P16 P17 92.21(6) . . ?
N8 P16 Si6 45.39(10) . . ?
N7 P16 Si6 45.25(11) . . ?
P18 P16 Si6 134.09(6) . . ?
P17 P16 Si6 133.69(6) . . ?
Cl13 Ga4 Cl12 114.89(5) . . ?
Cl13 Ga4 Cl14 114.78(5) . . ?
Cl12 Ga4 Cl14 111.49(5) . . ?
Cl13 Ga4 Cl11 105.02(5) . . ?
Cl12 Ga4 Cl11 108.26(5) . . ?
Cl14 Ga4 Cl11 100.98(4) . . ?
Cl8 Ga3 Cl10 116.08(6) . . ?
Cl8 Ga3 Cl9 114.10(6) . . ?
Cl10 Ga3 Cl9 110.98(6) . . ?
Cl8 Ga3 Cl11 104.41(5) . . ?
Cl10 Ga3 Cl11 107.05(5) . . ?
Cl9 Ga3 Cl11 102.82(4) . . ?
Cl23 Ga7 Cl24 112.70(5) . . ?
Cl23 Ga7 Cl22 113.64(8) . . ?
Cl24 Ga7 Cl22 113.24(6) . . ?
Cl23 Ga7 L25A 107.12(5) . . ?
Cl24 Ga7 L25A 107.58(7) . . ?
Cl22 Ga7 L25A 101.57(9) . . ?
Cl23 Ga7 L25B 100.2(3) . . ?
Cl24 Ga7 L25B 87.9(3) . . ?
Cl22 Ga7 L25B 126.4(3) . . ?
L25A Ga7 L25B 26.3(3) . . ?
Cl1 Ga1 Cl3 112.83(6) . . ?
Cl1 Ga1 Cl2 114.74(5) . . ?
Cl3 Ga1 Cl2 113.01(5) . . ?
Cl1 Ga1 Cl4 103.27(5) . . ?
Cl3 Ga1 Cl4 106.96(5) . . ?
Cl2 Ga1 Cl4 104.86(5) . . ?
Cl7 Ga2 Cl5 115.26(6) . . ?
Cl7 Ga2 Cl6 113.18(5) . . ?
Cl5 Ga2 Cl6 112.60(5) . . ?
Cl7 Ga2 Cl4 107.14(6) . . ?
Cl5 Ga2 Cl4 105.97(5) . . ?
Cl6 Ga2 Cl4 101.24(5) . . ?
N2 P1 N1 90.37(16) . . ?
N2 P1 P2 118.54(13) . . ?
N1 P1 P2 119.89(12) . . ?
N2 P1 P3 120.92(12) . . ?
N1 P1 P3 117.32(13) . . ?
P2 P1 P3 92.52(6) . . ?
N2 P1 Si1 45.30(11) . . ?
N1 P1 Si1 45.08(12) . . ?
P2 P1 Si1 134.03(6) . . ?
P3 P1 Si1 133.43(6) . . ?
P1 P2 P5 83.12(6) . . ?
P1 P2 P4 82.10(6) . . ?
P5 P2 P4 57.62(6) . . ?
P5 P4 P3 61.14(6) . . ?
P5 P4 P2 61.11(6) . . ?
P3 P4 P2 87.52(6) . . ?
P1 P3 P5 83.10(6) . . ?
P1 P3 P4 82.13(6) . . ?
P5 P3 P4 57.66(5) . . ?
N4 Si5 C11 109.0(2) . . ?
N4 Si5 C12 108.3(3) . . ?
C11 Si5 C12 111.6(3) . . ?
N4 Si5 C10 103.01(18) . . ?
C11 Si5 C10 112.7(3) . . ?
C12 Si5 C10 111.9(3) . . ?
P10 P9 P8 60.93(7) . . ?
P10 P9 P7 60.88(9) . . ?
P8 P9 P7 87.13(8) . . ?
P9 P10 P7 61.03(9) . . ?
P9 P10 P8 60.97(8) . . ?
P7 P10 P8 87.23(7) . . ?
P16 P17 P20 82.99(6) . . ?
P16 P17 P19 82.82(6) . . ?
P20 P17 P19 57.76(6) . . ?
P19 P20 P17 61.27(6) . . ?
P19 P20 P18 61.08(6) . . ?
P17 P20 P18 87.42(6) . . ?
P20 P19 P18 61.29(6) . . ?
P20 P19 P17 60.97(6) . . ?
P18 P19 P17 87.37(6) . . ?
P15 P14 P13 61.12(9) . . ?
P15 P14 P12 60.96(7) . . ?
P13 P14 P12 87.56(7) . . ?
N6 Si8 C18 109.1(2) . . ?
N6 Si8 C17 105.6(2) . . ?
C18 Si8 C17 113.9(5) . . ?
N6 Si8 C16 106.89(19) . . ?
C18 Si8 C16 112.7(3) . . ?
C17 Si8 C16 108.2(3) . . ?
Ga4 Cl11 Ga3 110.74(4) . . ?
Ga1 Cl4 Ga2 109.19(5) . . ?
N1 Si2 C2 109.69(19) . . ?
N1 Si2 C1 107.2(2) . . ?
C2 Si2 C1 111.0(3) . . ?
N1 Si2 C3 102.39(18) . . ?
C2 Si2 C3 115.3(3) . . ?
C1 Si2 C3 110.7(3) . . ?
P4 P5 P3 61.20(6) . . ?
P4 P5 P2 61.27(6) . . ?
P3 P5 P2 87.63(6) . . ?
N2 Si3 C6 108.4(2) . . ?
N2 Si3 C5 108.4(2) . . ?
C6 Si3 C5 111.6(3) . . ?
N2 Si3 C4 103.86(19) . . ?
C6 Si3 C4 112.6(3) . . ?
C5 Si3 C4 111.6(3) . . ?
N4 P6 N3 90.88(17) . . ?
N4 P6 P7 118.08(13) . . ?
N3 P6 P7 120.34(14) . . ?
N4 P6 P8 120.15(14) . . ?
N3 P6 P8 118.67(13) . . ?
P7 P6 P8 91.53(7) . . ?
N4 P6 Si1 45.46(12) . . ?
N3 P6 Si1 45.41(12) . . ?
P7 P6 Si1 134.06(7) . . ?
P8 P6 Si1 134.41(6) . . ?
P6 P8 P10 83.05(7) . . ?
P6 P8 P9 83.20(7) . . ?
P10 P8 P9 58.10(9) . . ?
P6 P7 P10 83.15(7) . . ?
P6 P7 P9 83.23(7) . . ?
P10 P7 P9 58.10(9) . . ?
P16 P18 P19 82.83(6) . . ?
P16 P18 P20 82.75(6) . . ?
P19 P18 P20 57.63(6) . . ?
N7 Si6 N5 122.28(15) . . ?
N7 Si6 N6 121.96(16) . . ?
N5 Si6 N6 86.74(15) . . ?
N7 Si6 N8 86.79(15) . . ?
N5 Si6 N8 122.01(15) . . ?
N6 Si6 N8 121.27(16) . . ?
N7 Si6 P11 137.12(11) . . ?
N5 Si6 P11 43.32(11) . . ?
N6 Si6 P11 43.43(11) . . ?
N8 Si6 P11 136.09(12) . . ?
N7 Si6 P16 43.46(10) . . ?
N5 Si6 P16 136.75(12) . . ?
N6 Si6 P16 136.50(12) . . ?
N8 Si6 P16 43.33(10) . . ?
P11 Si6 P16 179.41(6) . . ?
N5 P11 N6 90.82(16) . . ?
N5 P11 P12 117.92(13) . . ?
N6 P11 P12 120.66(13) . . ?
N5 P11 P13 119.69(12) . . ?
N6 P11 P13 117.91(13) . . ?
P12 P11 P13 92.52(7) . . ?
N5 P11 Si6 45.36(11) . . ?
N6 P11 Si6 45.46(11) . . ?
P12 P11 Si6 134.04(6) . . ?
P13 P11 Si6 133.44(7) . . ?
P11 P12 P15 82.84(8) . . ?
P11 P12 P14 82.03(7) . . ?
P15 P12 P14 57.67(8) . . ?
P11 P13 P14 82.42(8) . . ?
P11 P13 P15 82.91(7) . . ?
P14 P13 P15 57.98(9) . . ?
N5 Si7 C14 109.4(2) . . ?
N5 Si7 C13 108.9(2) . . ?
C14 Si7 C13 112.4(3) . . ?
N5 Si7 C15 103.59(18) . . ?
C14 Si7 C15 111.9(3) . . ?
C13 Si7 C15 110.2(3) . . ?
N7 Si9 C21 107.78(18) . . ?
N7 Si9 C20 108.34(19) . . ?
C21 Si9 C20 112.2(2) . . ?
N7 Si9 C19 103.83(16) . . ?
C21 Si9 C19 112.8(2) . . ?
C20 Si9 C19 111.4(2) . . ?
N8 Si10 C24 110.14(18) . . ?
N8 Si10 C23 107.36(19) . . ?
C24 Si10 C23 111.1(2) . . ?
N8 Si10 C22 103.40(16) . . ?
C24 Si10 C22 111.8(2) . . ?
C23 Si10 C22 112.6(2) . . ?
Ga8B Cl26 Ga8A 25.6(4) . . ?
Ga8B Cl26 L28B 58.2(6) . . ?
Ga8A Cl26 L28B 78.6(4) . . ?
Ga8B Cl27 Ga8A 24.8(4) . . ?
N3 Si4 C8 108.5(2) . . ?
N3 Si4 C7 104.0(2) . . ?
C8 Si4 C7 113.4(3) . . ?
N3 Si4 C9 105.9(3) . . ?
C8 Si4 C9 114.2(5) . . ?
C7 Si4 C9 110.1(5) . . ?
P1 N2 Si1 91.33(16) . . ?
P1 N2 Si3 133.9(2) . . ?
Si1 N2 Si3 134.7(2) . . ?
P1 N1 Si1 91.54(16) . . ?
P1 N1 Si2 134.6(2) . . ?
Si1 N1 Si2 133.74(19) . . ?
P6 N4 Si1 91.39(16) . . ?
P6 N4 Si5 135.3(2) . . ?
Si1 N4 Si5 133.2(2) . . ?
P14 P15 P13 60.90(9) . . ?
P14 P15 P12 61.37(8) . . ?
P13 P15 P12 87.66(7) . . ?
P11 N6 Si6 91.12(16) . . ?
P11 N6 Si8 135.8(2) . . ?
Si6 N6 Si8 132.6(2) . . ?
P16 N8 Si6 91.28(15) . . ?
P16 N8 Si10 135.29(19) . . ?
Si6 N8 Si10 133.40(19) . . ?
Si2 C1 H1A 109.5 . . ?
Si2 C1 H1B 109.5 . . ?
H1A C1 H1B 109.5 . . ?
Si2 C1 H1C 109.5 . . ?
H1A C1 H1C 109.5 . . ?
H1B C1 H1C 109.5 . . ?
Si2 C3 H3A 109.5 . . ?
Si2 C3 H3B 109.5 . . ?
H3A C3 H3B 109.5 . . ?
Si2 C3 H3C 109.5 . . ?
H3A C3 H3C 109.5 . . ?
H3B C3 H3C 109.5 . . ?
Si2 C2 H2A 109.5 . . ?
Si2 C2 H2B 109.5 . . ?
H2A C2 H2B 109.5 . . ?
Si2 C2 H2C 109.5 . . ?
H2A C2 H2C 109.5 . . ?
H2B C2 H2C 109.5 . . ?
Si3 C4 H4A 109.5 . . ?
Si3 C4 H4B 109.5 . . ?
H4A C4 H4B 109.5 . . ?
Si3 C4 H4C 109.5 . . ?
H4A C4 H4C 109.5 . . ?
H4B C4 H4C 109.5 . . ?
Si3 C5 H5A 109.5 . . ?
Si3 C5 H5B 109.5 . . ?
H5A C5 H5B 109.5 . . ?
Si3 C5 H5C 109.5 . . ?
H5A C5 H5C 109.5 . . ?
H5B C5 H5C 109.5 . . ?
Si3 C6 H6A 109.5 . . ?
Si3 C6 H6B 109.5 . . ?
H6A C6 H6B 109.5 . . ?
Si3 C6 H6C 109.5 . . ?
H6A C6 H6C 109.5 . . ?
H6B C6 H6C 109.5 . . ?
P6 N3 Si1 91.38(16) . . ?
P6 N3 Si4 135.5(2) . . ?
Si1 N3 Si4 133.1(2) . . ?
Si5 C10 H10A 109.5 . . ?
Si5 C10 H10B 109.5 . . ?
H10A C10 H10B 109.5 . . ?
Si5 C10 H10C 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
Si5 C11 H11A 109.5 . . ?
Si5 C11 H11B 109.5 . . ?
H11A C11 H11B 109.5 . . ?
Si5 C11 H11C 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
P11 N5 Si6 91.32(16) . . ?
P11 N5 Si7 134.95(19) . . ?
Si6 N5 Si7 133.73(19) . . ?
Si7 C15 H15A 109.5 . . ?
Si7 C15 H15B 109.5 . . ?
H15A C15 H15B 109.5 . . ?
Si7 C15 H15C 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
Si7 C14 H14A 109.5 . . ?
Si7 C14 H14B 109.5 . . ?
H14A C14 H14B 109.5 . . ?
Si7 C14 H14C 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
Si7 C13 H13A 109.5 . . ?
Si7 C13 H13B 109.5 . . ?
H13A C13 H13B 109.5 . . ?
Si7 C13 H13C 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
Si8 C16 H16A 109.5 . . ?
Si8 C16 H16B 109.5 . . ?
H16A C16 H16B 109.5 . . ?
Si8 C16 H16C 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
P16 N7 Si6 91.29(15) . . ?
P16 N7 Si9 133.67(19) . . ?
Si6 N7 Si9 134.98(19) . . ?
Si9 C19 H19A 109.5 . . ?
Si9 C19 H19B 109.5 . . ?
H19A C19 H19B 109.5 . . ?
Si9 C19 H19C 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
Si9 C21 H21A 109.5 . . ?
Si9 C21 H21B 109.5 . . ?
H21A C21 H21B 109.5 . . ?
Si9 C21 H21C 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
Si9 C20 H20A 109.5 . . ?
Si9 C20 H20B 109.5 . . ?
H20A C20 H20B 109.5 . . ?
Si9 C20 H20C 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
Si10 C24 H24A 109.5 . . ?
Si10 C24 H24B 109.5 . . ?
H24A C24 H24B 109.5 . . ?
Si10 C24 H24C 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
Si10 C22 H22A 109.5 . . ?
Si10 C22 H22B 109.5 . . ?
H22A C22 H22B 109.5 . . ?
Si10 C22 H22C 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
Si10 C23 H23A 109.5 . . ?
Si10 C23 H23B 109.5 . . ?
H23A C23 H23B 109.5 . . ?
Si10 C23 H23C 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
Si4 C8 H8A 109.5 . . ?
Si4 C8 H8B 109.5 . . ?
H8A C8 H8B 109.5 . . ?
Si4 C8 H8C 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
Si4 C7 H7A 109.5 . . ?
Si4 C7 H7B 109.5 . . ?
H7A C7 H7B 109.5 . . ?
Si4 C7 H7C 109.5 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?
Si8 C17 H17A 109.5 . . ?
Si8 C17 H17B 109.5 . . ?
H17A C17 H17B 109.5 . . ?
Si8 C17 H17C 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
Cl19 Ga5A L21A 121.16(13) . . ?
Cl19 Ga5A L20A 114.55(10) . . ?
L21A Ga5A L20A 114.97(16) . . ?
Cl19 Ga5A Cl18 96.38(8) . . ?
L21A Ga5A Cl18 100.68(10) . . ?
L20A Ga5A Cl18 103.91(15) . . ?
L17A Ga6A L15A 116.15(17) . . ?
L17A Ga6A L16A 111.98(19) . . ?
L15A Ga6A L16A 112.15(14) . . ?
L17A Ga6A Cl18 107.05(13) . . ?
L15A Ga6A Cl18 109.04(13) . . ?
L16A Ga6A Cl18 98.88(13) . . ?
Ga6A L16A L21A 112.07(18) . . ?
Ga5A L21A L16A 92.89(13) . . ?
Cl26 Ga8A L28A 115.30(8) . . ?
Cl26 Ga8A Cl27 111.86(8) . . ?
L28A Ga8A Cl27 114.81(9) . . ?
Cl26 Ga8A L25A 105.46(7) . . ?
L28A Ga8A L25A 105.49(10) . . ?
Cl27 Ga8A L25A 102.32(6) . . ?
Ga7 L25A Ga8A 112.32(6) . . ?
Cl18 Ga5B L21B 111.9(2) . . ?
Cl18 Ga5B L20B 91.07(18) . . ?
L21B Ga5B L20B 115.9(3) . . ?
Cl18 Ga5B Cl19 113.96(10) . . ?
L21B Ga5B Cl19 110.08(16) . . ?
L20B Ga5B Cl19 112.9(2) . . ?
Cl18 Ga6B L17B 97.81(17) . . ?
Cl18 Ga6B L15B 106.87(10) . . ?
L17B Ga6B L15B 113.61(12) . . ?
Cl18 Ga6B L16B 109.48(10) . . ?
L17B Ga6B L16B 113.85(17) . . ?
L15B Ga6B L16B 113.71(12) . . ?
Cl27 Ga8B Cl26 137.2(4) . . ?
Cl27 Ga8B L28B 126.4(8) . . ?
Cl26 Ga8B L28B 70.7(9) . . ?
Cl27 Ga8B L25B 98.2(6) . . ?
Cl26 Ga8B L25B 116.7(4) . . ?
L28B Ga8B L25B 103.5(8) . . ?
Ga8B L28B Cl26 51.1(9) . . ?
Ga8B L25B Ga7 112.9(6) . . ?
Ga5B Cl18 Ga6B 122.48(11) . . ?
Ga5B Cl18 Ga6A 110.13(10) . . ?
Ga6B Cl18 Ga6A 12.73(4) . . ?
Ga5B Cl18 Ga5A 14.75(8) . . ?
Ga6B Cl18 Ga5A 108.69(8) . . ?
Ga6A Cl18 Ga5A 96.74(7) . . ?
Si5 C12 H12A 109.5 . . ?
Si5 C12 H12B 109.5 . . ?
H12A C12 H12B 109.5 . . ?
Si5 C12 H12C 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
Si8 C18 H18A 109.5 . . ?
Si8 C18 H18B 109.5 . . ?
H18A C18 H18B 109.5 . . ?
Si8 C18 H18C 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
Si4 C9 H9A 109.5 . . ?
Si4 C9 H9B 109.5 . . ?
H9A C9 H9B 109.5 . . ?
Si4 C9 H9C 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
Ga5A Cl19 Ga5B 22.66(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
N1 Si1 P1 N2 179.6(2) . . . . ?
N3 Si1 P1 N2 91.0(2) . . . . ?
N4 Si1 P1 N2 -90.3(2) . . . . ?
P6 Si1 P1 N2 163(6) . . . . ?
N2 Si1 P1 N1 -179.6(2) . . . . ?
N3 Si1 P1 N1 -88.6(2) . . . . ?
N4 Si1 P1 N1 90.1(2) . . . . ?
P6 Si1 P1 N1 -17(6) . . . . ?
N1 Si1 P1 P2 90.86(17) . . . . ?
N2 Si1 P1 P2 -88.74(18) . . . . ?
N3 Si1 P1 P2 2.3(2) . . . . ?
N4 Si1 P1 P2 -179.07(18) . . . . ?
P6 Si1 P1 P2 74(6) . . . . ?
N1 Si1 P1 P3 -87.04(17) . . . . ?
N2 Si1 P1 P3 93.36(18) . . . . ?
N3 Si1 P1 P3 -175.60(17) . . . . ?
N4 Si1 P1 P3 3.0(2) . . . . ?
P6 Si1 P1 P3 -104(6) . . . . ?
N2 P1 P2 P5 99.49(14) . . . . ?
N1 P1 P2 P5 -151.78(15) . . . . ?
P3 P1 P2 P5 -28.06(6) . . . . ?
Si1 P1 P2 P5 153.47(8) . . . . ?
N2 P1 P2 P4 157.63(14) . . . . ?
N1 P1 P2 P4 -93.64(15) . . . . ?
P3 P1 P2 P4 30.08(6) . . . . ?
Si1 P1 P2 P4 -148.39(8) . . . . ?
P1 P2 P4 P5 -86.84(6) . . . . ?
P1 P2 P4 P3 -28.70(5) . . . . ?
P5 P2 P4 P3 58.14(6) . . . . ?
N2 P1 P3 P5 -97.65(15) . . . . ?
N1 P1 P3 P5 153.82(14) . . . . ?
P2 P1 P3 P5 28.07(6) . . . . ?
Si1 P1 P3 P5 -153.45(8) . . . . ?
N2 P1 P3 P4 -155.83(15) . . . . ?
N1 P1 P3 P4 95.64(14) . . . . ?
P2 P1 P3 P4 -30.11(6) . . . . ?
Si1 P1 P3 P4 148.37(8) . . . . ?
P5 P4 P3 P1 86.79(7) . . . . ?
P2 P4 P3 P1 28.67(6) . . . . ?
P2 P4 P3 P5 -58.12(6) . . . . ?
P8 P9 P10 P7 -104.14(8) . . . . ?
P7 P9 P10 P8 104.14(8) . . . . ?
N8 P16 P17 P20 -95.15(14) . . . . ?
N7 P16 P17 P20 155.66(13) . . . . ?
P18 P16 P17 P20 29.09(6) . . . . ?
Si6 P16 P17 P20 -150.31(8) . . . . ?
N8 P16 P17 P19 -153.40(13) . . . . ?
N7 P16 P17 P19 97.41(14) . . . . ?
P18 P16 P17 P19 -29.16(6) . . . . ?
Si6 P16 P17 P19 151.44(8) . . . . ?
P16 P17 P20 P19 -85.91(6) . . . . ?
P16 P17 P20 P18 -27.73(6) . . . . ?
P19 P17 P20 P18 58.18(6) . . . . ?
P17 P20 P19 P18 104.14(6) . . . . ?
P18 P20 P19 P17 -104.14(6) . . . . ?
P16 P17 P19 P20 86.21(6) . . . . ?
P16 P17 P19 P18 27.85(6) . . . . ?
P20 P17 P19 P18 -58.36(6) . . . . ?
Cl13 Ga4 Cl11 Ga3 44.86(6) . . . . ?
Cl12 Ga4 Cl11 Ga3 -78.34(6) . . . . ?
Cl14 Ga4 Cl11 Ga3 164.47(5) . . . . ?
Cl8 Ga3 Cl11 Ga4 39.03(7) . . . . ?
Cl10 Ga3 Cl11 Ga4 -84.58(7) . . . . ?
Cl9 Ga3 Cl11 Ga4 158.42(5) . . . . ?
Cl1 Ga1 Cl4 Ga2 -160.22(6) . . . . ?
Cl3 Ga1 Cl4 Ga2 80.52(6) . . . . ?
Cl2 Ga1 Cl4 Ga2 -39.72(7) . . . . ?
Cl7 Ga2 Cl4 Ga1 84.22(7) . . . . ?
Cl5 Ga2 Cl4 Ga1 -39.34(7) . . . . ?
Cl6 Ga2 Cl4 Ga1 -157.01(6) . . . . ?
P2 P4 P5 P3 104.34(6) . . . . ?
P3 P4 P5 P2 -104.34(6) . . . . ?
P1 P3 P5 P4 -85.03(6) . . . . ?
P1 P3 P5 P2 -26.78(6) . . . . ?
P4 P3 P5 P2 58.25(6) . . . . ?
P1 P2 P5 P4 84.99(6) . . . . ?
P1 P2 P5 P3 26.80(6) . . . . ?
P4 P2 P5 P3 -58.19(6) . . . . ?
N1 Si1 P6 N4 91.0(2) . . . . ?
N2 Si1 P6 N4 -89.8(2) . . . . ?
N3 Si1 P6 N4 180.0(2) . . . . ?
P1 Si1 P6 N4 108(6) . . . . ?
N1 Si1 P6 N3 -89.0(2) . . . . ?
N2 Si1 P6 N3 90.2(2) . . . . ?
N4 Si1 P6 N3 180.0(2) . . . . ?
P1 Si1 P6 N3 -72(6) . . . . ?
N1 Si1 P6 P7 179.06(18) . . . . ?
N2 Si1 P6 P7 -1.8(2) . . . . ?
N3 Si1 P6 P7 -91.91(19) . . . . ?
N4 Si1 P6 P7 88.09(19) . . . . ?
P1 Si1 P6 P7 -164(6) . . . . ?
N1 Si1 P6 P8 -0.3(2) . . . . ?
N2 Si1 P6 P8 178.86(18) . . . . ?
N3 Si1 P6 P8 88.70(18) . . . . ?
N4 Si1 P6 P8 -91.29(19) . . . . ?
P1 Si1 P6 P8 16(6) . . . . ?
N4 P6 P8 P10 153.39(15) . . . . ?
N3 P6 P8 P10 -96.87(16) . . . . ?
P7 P6 P8 P10 29.33(9) . . . . ?
Si1 P6 P8 P10 -151.11(10) . . . . ?
N4 P6 P8 P9 94.83(16) . . . . ?
N3 P6 P8 P9 -155.43(16) . . . . ?
P7 P6 P8 P9 -29.23(9) . . . . ?
Si1 P6 P8 P9 150.33(10) . . . . ?
P9 P10 P8 P6 -86.29(7) . . . . ?
P7 P10 P8 P6 -28.15(9) . . . . ?
P7 P10 P8 P9 58.14(9) . . . . ?
P10 P9 P8 P6 86.03(8) . . . . ?
P7 P9 P8 P6 28.01(7) . . . . ?
P7 P9 P8 P10 -58.01(9) . . . . ?
N4 P6 P7 P10 -155.06(16) . . . . ?
N3 P6 P7 P10 95.53(16) . . . . ?
P8 P6 P7 P10 -29.34(10) . . . . ?
Si1 P6 P7 P10 151.10(10) . . . . ?
N4 P6 P7 P9 -96.51(16) . . . . ?
N3 P6 P7 P9 154.08(15) . . . . ?
P8 P6 P7 P9 29.21(8) . . . . ?
Si1 P6 P7 P9 -150.35(10) . . . . ?
P9 P10 P7 P6 86.28(8) . . . . ?
P8 P10 P7 P6 28.19(9) . . . . ?
P8 P10 P7 P9 -58.09(8) . . . . ?
P10 P9 P7 P6 -86.12(7) . . . . ?
P8 P9 P7 P6 -28.05(7) . . . . ?
P8 P9 P7 P10 58.06(7) . . . . ?
N8 P16 P18 P19 154.93(13) . . . . ?
N7 P16 P18 P19 -96.17(15) . . . . ?
P17 P16 P18 P19 29.17(6) . . . . ?
Si6 P16 P18 P19 -151.44(8) . . . . ?
N8 P16 P18 P20 96.80(14) . . . . ?
N7 P16 P18 P20 -154.30(14) . . . . ?
P17 P16 P18 P20 -28.96(6) . . . . ?
Si6 P16 P18 P20 150.43(8) . . . . ?
P20 P19 P18 P16 -85.93(6) . . . . ?
P17 P19 P18 P16 -27.85(6) . . . . ?
P17 P19 P18 P20 58.08(6) . . . . ?
P19 P20 P18 P16 86.09(6) . . . . ?
P17 P20 P18 P16 27.75(6) . . . . ?
P17 P20 P18 P19 -58.34(6) . . . . ?
N8 P16 Si6 N7 179.3(2) . . . . ?
P18 P16 Si6 N7 91.57(18) . . . . ?
P17 P16 Si6 N7 -89.26(18) . . . . ?
N8 P16 Si6 N5 -90.0(2) . . . . ?
N7 P16 Si6 N5 90.7(2) . . . . ?
P18 P16 Si6 N5 -177.77(17) . . . . ?
P17 P16 Si6 N5 1.4(2) . . . . ?
N8 P16 Si6 N6 89.0(2) . . . . ?
N7 P16 Si6 N6 -90.3(2) . . . . ?
P18 P16 Si6 N6 1.2(2) . . . . ?
P17 P16 Si6 N6 -179.61(17) . . . . ?
N7 P16 Si6 N8 -179.3(2) . . . . ?
P18 P16 Si6 N8 -87.74(17) . . . . ?
P17 P16 Si6 N8 91.42(17) . . . . ?
N8 P16 Si6 P11 7(7) . . . . ?
N7 P16 Si6 P11 -172(100) . . . . ?
P18 P16 Si6 P11 -81(7) . . . . ?
P17 P16 Si6 P11 98(7) . . . . ?
N7 Si6 P11 N5 90.1(2) . . . . ?
N6 Si6 P11 N5 179.8(2) . . . . ?
N8 Si6 P11 N5 -90.7(2) . . . . ?
P16 Si6 P11 N5 -98(7) . . . . ?
N7 Si6 P11 N6 -89.7(2) . . . . ?
N5 Si6 P11 N6 -179.8(2) . . . . ?
N8 Si6 P11 N6 89.5(2) . . . . ?
P16 Si6 P11 N6 83(7) . . . . ?
N7 Si6 P11 P12 177.86(18) . . . . ?
N5 Si6 P11 P12 87.74(17) . . . . ?
N6 Si6 P11 P12 -92.49(17) . . . . ?
N8 Si6 P11 P12 -3.0(2) . . . . ?
P16 Si6 P11 P12 -10(7) . . . . ?
N7 Si6 P11 P13 -1.2(2) . . . . ?
N5 Si6 P11 P13 -91.36(18) . . . . ?
N6 Si6 P11 P13 88.41(18) . . . . ?
N8 Si6 P11 P13 177.92(17) . . . . ?
P16 Si6 P11 P13 171(100) . . . . ?
N5 P11 P12 P15 -154.23(14) . . . . ?
N6 P11 P12 P15 96.32(15) . . . . ?
P13 P11 P12 P15 -28.47(8) . . . . ?
Si6 P11 P12 P15 152.19(9) . . . . ?
N5 P11 P12 P14 -96.01(14) . . . . ?
N6 P11 P12 P14 154.54(15) . . . . ?
P13 P11 P12 P14 29.75(9) . . . . ?
Si6 P11 P12 P14 -149.59(9) . . . . ?
P15 P14 P12 P11 -86.55(8) . . . . ?
P13 P14 P12 P11 -28.50(7) . . . . ?
P13 P14 P12 P15 58.04(9) . . . . ?
N5 P11 P13 P14 94.39(15) . . . . ?
N6 P11 P13 P14 -156.91(15) . . . . ?
P12 P11 P13 P14 -29.98(8) . . . . ?
Si6 P11 P13 P14 149.37(9) . . . . ?
N5 P11 P13 P15 152.90(15) . . . . ?
N6 P11 P13 P15 -98.40(16) . . . . ?
P12 P11 P13 P15 28.52(9) . . . . ?
Si6 P11 P13 P15 -152.13(10) . . . . ?
P15 P14 P13 P11 86.36(8) . . . . ?
P12 P14 P13 P11 28.46(7) . . . . ?
P12 P14 P13 P15 -57.90(7) . . . . ?
N1 P1 N2 Si1 0.28(16) . . . . ?
P2 P1 N2 Si1 125.09(11) . . . . ?
P3 P1 N2 Si1 -122.32(12) . . . . ?
N1 P1 N2 Si3 -178.0(3) . . . . ?
P2 P1 N2 Si3 -53.2(3) . . . . ?
P3 P1 N2 Si3 59.4(3) . . . . ?
Si1 P1 N2 Si3 -178.3(4) . . . . ?
N1 Si1 N2 P1 -0.27(16) . . . . ?
N3 Si1 N2 P1 -125.49(18) . . . . ?
N4 Si1 N2 P1 126.27(17) . . . . ?
P6 Si1 N2 P1 -179.71(9) . . . . ?
N1 Si1 N2 Si3 178.0(3) . . . . ?
N3 Si1 N2 Si3 52.8(3) . . . . ?
N4 Si1 N2 Si3 -55.5(3) . . . . ?
P1 Si1 N2 Si3 178.3(4) . . . . ?
P6 Si1 N2 Si3 -1.4(4) . . . . ?
C6 Si3 N2 P1 -54.6(4) . . . . ?
C5 Si3 N2 P1 66.7(4) . . . . ?
C4 Si3 N2 P1 -174.6(3) . . . . ?
C6 Si3 N2 Si1 127.8(3) . . . . ?
C5 Si3 N2 Si1 -110.9(3) . . . . ?
C4 Si3 N2 Si1 7.8(4) . . . . ?
N2 P1 N1 Si1 -0.28(16) . . . . ?
P2 P1 N1 Si1 -123.98(12) . . . . ?
P3 P1 N1 Si1 125.29(11) . . . . ?
N2 P1 N1 Si2 -177.3(3) . . . . ?
P2 P1 N1 Si2 59.0(3) . . . . ?
P3 P1 N1 Si2 -51.7(3) . . . . ?
Si1 P1 N1 Si2 -177.0(4) . . . . ?
N2 Si1 N1 P1 0.27(16) . . . . ?
N3 Si1 N1 P1 126.67(17) . . . . ?
N4 Si1 N1 P1 -126.39(17) . . . . ?
P6 Si1 N1 P1 179.72(8) . . . . ?
N2 Si1 N1 Si2 177.3(3) . . . . ?
N3 Si1 N1 Si2 -56.3(3) . . . . ?
N4 Si1 N1 Si2 50.6(3) . . . . ?
P1 Si1 N1 Si2 177.0(3) . . . . ?
P6 Si1 N1 Si2 -3.2(4) . . . . ?
C2 Si2 N1 P1 -53.6(4) . . . . ?
C1 Si2 N1 P1 67.0(4) . . . . ?
C3 Si2 N1 P1 -176.5(3) . . . . ?
C2 Si2 N1 Si1 130.6(3) . . . . ?
C1 Si2 N1 Si1 -108.9(4) . . . . ?
C3 Si2 N1 Si1 7.7(3) . . . . ?
N3 P6 N4 Si1 0.00(16) . . . . ?
P7 P6 N4 Si1 -125.50(13) . . . . ?
P8 P6 N4 Si1 124.32(12) . . . . ?
N3 P6 N4 Si5 177.7(3) . . . . ?
P7 P6 N4 Si5 52.2(3) . . . . ?
P8 P6 N4 Si5 -58.0(3) . . . . ?
Si1 P6 N4 Si5 177.7(4) . . . . ?
N1 Si1 N4 P6 -124.81(17) . . . . ?
N2 Si1 N4 P6 126.57(18) . . . . ?
N3 Si1 N4 P6 0.00(16) . . . . ?
P1 Si1 N4 P6 -179.06(9) . . . . ?
N1 Si1 N4 Si5 57.4(3) . . . . ?
N2 Si1 N4 Si5 -51.2(3) . . . . ?
N3 Si1 N4 Si5 -177.8(3) . . . . ?
P1 Si1 N4 Si5 3.1(4) . . . . ?
P6 Si1 N4 Si5 -177.8(4) . . . . ?
C11 Si5 N4 P6 -58.7(4) . . . . ?
C12 Si5 N4 P6 62.8(4) . . . . ?
C10 Si5 N4 P6 -178.6(3) . . . . ?
C11 Si5 N4 Si1 118.2(3) . . . . ?
C12 Si5 N4 Si1 -120.3(4) . . . . ?
C10 Si5 N4 Si1 -1.7(4) . . . . ?
P12 P14 P15 P13 104.51(7) . . . . ?
P13 P14 P15 P12 -104.51(7) . . . . ?
P11 P13 P15 P14 -85.46(8) . . . . ?
P11 P13 P15 P12 -27.20(8) . . . . ?
P14 P13 P15 P12 58.26(8) . . . . ?
P11 P12 P15 P14 85.07(7) . . . . ?
P11 P12 P15 P13 27.22(8) . . . . ?
P14 P12 P15 P13 -57.85(8) . . . . ?
N5 P11 N6 Si6 -0.16(16) . . . . ?
P12 P11 N6 Si6 123.40(12) . . . . ?
P13 P11 N6 Si6 -124.79(11) . . . . ?
N5 P11 N6 Si8 171.8(3) . . . . ?
P12 P11 N6 Si8 -64.6(3) . . . . ?
P13 P11 N6 Si8 47.2(3) . . . . ?
Si6 P11 N6 Si8 172.0(4) . . . . ?
N7 Si6 N6 P11 126.67(16) . . . . ?
N5 Si6 N6 P11 0.16(15) . . . . ?
N8 Si6 N6 P11 -125.77(16) . . . . ?
P16 Si6 N6 P11 -179.16(8) . . . . ?
N7 Si6 N6 Si8 -45.7(3) . . . . ?
N5 Si6 N6 Si8 -172.2(3) . . . . ?
N8 Si6 N6 Si8 61.8(3) . . . . ?
P11 Si6 N6 Si8 -172.4(3) . . . . ?
P16 Si6 N6 Si8 8.4(4) . . . . ?
C18 Si8 N6 P11 45.2(5) . . . . ?
C17 Si8 N6 P11 168.0(4) . . . . ?
C16 Si8 N6 P11 -77.0(3) . . . . ?
C18 Si8 N6 Si6 -145.8(4) . . . . ?
C17 Si8 N6 Si6 -23.0(4) . . . . ?
C16 Si8 N6 Si6 92.1(3) . . . . ?
N7 P16 N8 Si6 0.49(16) . . . . ?
P18 P16 N8 Si6 125.68(11) . . . . ?
P17 P16 N8 Si6 -123.54(11) . . . . ?
N7 P16 N8 Si10 -177.5(3) . . . . ?
P18 P16 N8 Si10 -52.3(3) . . . . ?
P17 P16 N8 Si10 58.5(3) . . . . ?
Si6 P16 N8 Si10 -178.0(4) . . . . ?
N7 Si6 N8 P16 -0.47(16) . . . . ?
N5 Si6 N8 P16 126.10(16) . . . . ?
N6 Si6 N8 P16 -126.36(17) . . . . ?
P11 Si6 N8 P16 -179.90(8) . . . . ?
N7 Si6 N8 Si10 177.6(3) . . . . ?
N5 Si6 N8 Si10 -55.9(3) . . . . ?
N6 Si6 N8 Si10 51.7(3) . . . . ?
P11 Si6 N8 Si10 -1.9(4) . . . . ?
P16 Si6 N8 Si10 178.0(3) . . . . ?
C24 Si10 N8 P16 60.6(3) . . . . ?
C23 Si10 N8 P16 -60.6(3) . . . . ?
C22 Si10 N8 P16 -179.8(3) . . . . ?
C24 Si10 N8 Si6 -116.6(3) . . . . ?
C23 Si10 N8 Si6 122.3(3) . . . . ?
C22 Si10 N8 Si6 3.0(3) . . . . ?
N4 P6 N3 Si1 0.00(16) . . . . ?
P7 P6 N3 Si1 123.67(12) . . . . ?
P8 P6 N3 Si1 -125.52(12) . . . . ?
N4 P6 N3 Si4 179.0(3) . . . . ?
P7 P6 N3 Si4 -57.4(3) . . . . ?
P8 P6 N3 Si4 53.5(3) . . . . ?
Si1 P6 N3 Si4 179.0(4) . . . . ?
N1 Si1 N3 P6 125.78(17) . . . . ?
N2 Si1 N3 P6 -126.46(17) . . . . ?
N4 Si1 N3 P6 0.00(16) . . . . ?
P1 Si1 N3 P6 179.07(8) . . . . ?
N1 Si1 N3 Si4 -53.2(3) . . . . ?
N2 Si1 N3 Si4 54.5(3) . . . . ?
N4 Si1 N3 Si4 -179.0(3) . . . . ?
P1 Si1 N3 Si4 0.0(4) . . . . ?
P6 Si1 N3 Si4 -179.0(4) . . . . ?
C8 Si4 N3 P6 -50.6(4) . . . . ?
C7 Si4 N3 P6 -171.6(3) . . . . ?
C9 Si4 N3 P6 72.4(5) . . . . ?
C8 Si4 N3 Si1 128.0(3) . . . . ?
C7 Si4 N3 Si1 7.0(4) . . . . ?
C9 Si4 N3 Si1 -109.0(5) . . . . ?
N6 P11 N5 Si6 0.16(16) . . . . ?
P12 P11 N5 Si6 -125.62(11) . . . . ?
P13 P11 N5 Si6 123.32(12) . . . . ?
N6 P11 N5 Si7 -179.4(3) . . . . ?
P12 P11 N5 Si7 54.8(3) . . . . ?
P13 P11 N5 Si7 -56.3(3) . . . . ?
Si6 P11 N5 Si7 -179.6(4) . . . . ?
N7 Si6 N5 P11 -126.40(16) . . . . ?
N6 Si6 N5 P11 -0.16(15) . . . . ?
N8 Si6 N5 P11 125.13(17) . . . . ?
P16 Si6 N5 P11 179.15(8) . . . . ?
N7 Si6 N5 Si7 53.2(3) . . . . ?
N6 Si6 N5 Si7 179.4(3) . . . . ?
N8 Si6 N5 Si7 -55.3(3) . . . . ?
P11 Si6 N5 Si7 179.6(3) . . . . ?
P16 Si6 N5 Si7 -1.3(4) . . . . ?
C14 Si7 N5 P11 61.7(4) . . . . ?
C13 Si7 N5 P11 -61.5(4) . . . . ?
C15 Si7 N5 P11 -178.8(3) . . . . ?
C14 Si7 N5 Si6 -117.7(3) . . . . ?
C13 Si7 N5 Si6 119.1(3) . . . . ?
C15 Si7 N5 Si6 1.8(3) . . . . ?
N8 P16 N7 Si6 -0.49(16) . . . . ?
P18 P16 N7 Si6 -123.78(11) . . . . ?
P17 P16 N7 Si6 124.51(11) . . . . ?
N8 P16 N7 Si9 -177.8(3) . . . . ?
P18 P16 N7 Si9 59.0(3) . . . . ?
P17 P16 N7 Si9 -52.8(3) . . . . ?
Si6 P16 N7 Si9 -177.3(4) . . . . ?
N5 Si6 N7 P16 -125.87(17) . . . . ?
N6 Si6 N7 P16 125.77(17) . . . . ?
N8 Si6 N7 P16 0.47(16) . . . . ?
P11 Si6 N7 P16 179.89(9) . . . . ?
N5 Si6 N7 Si9 51.3(3) . . . . ?
N6 Si6 N7 Si9 -57.0(3) . . . . ?
N8 Si6 N7 Si9 177.7(3) . . . . ?
P11 Si6 N7 Si9 -2.9(4) . . . . ?
P16 Si6 N7 Si9 177.2(4) . . . . ?
C21 Si9 N7 P16 -62.9(3) . . . . ?
C20 Si9 N7 P16 58.8(3) . . . . ?
C19 Si9 N7 P16 177.2(3) . . . . ?
C21 Si9 N7 Si6 121.0(3) . . . . ?
C20 Si9 N7 Si6 -117.4(3) . . . . ?
C19 Si9 N7 Si6 1.1(3) . . . . ?
L17A Ga6A L16A L21A -141.33(17) . . . . ?
L15A Ga6A L16A L21A 86.03(19) . . . . ?
Cl18 Ga6A L16A L21A -28.80(15) . . . . ?
Cl19 Ga5A L21A L16A 47.21(16) . . . . ?
L20A Ga5A L21A L16A -168.00(17) . . . . ?
Cl18 Ga5A L21A L16A -57.04(13) . . . . ?
Ga6A L16A L21A Ga5A 59.76(17) . . . . ?
Ga8B Cl26 Ga8A L28A 171.6(7) . . . . ?
L28B Cl26 Ga8A L28A -153.9(5) . . . . ?
Ga8B Cl26 Ga8A Cl27 38.0(7) . . . . ?
L28B Cl26 Ga8A Cl27 72.5(5) . . . . ?
Ga8B Cl26 Ga8A L25A -72.4(7) . . . . ?
L28B Cl26 Ga8A L25A -38.0(5) . . . . ?
Ga8B Cl27 Ga8A Cl26 -43.0(5) . . . . ?
Ga8B Cl27 Ga8A L28A -176.8(5) . . . . ?
Ga8B Cl27 Ga8A L25A 69.4(4) . . . . ?
Cl23 Ga7 L25A Ga8A 25.35(10) . . . . ?
Cl24 Ga7 L25A Ga8A -96.06(8) . . . . ?
Cl22 Ga7 L25A Ga8A 144.78(9) . . . . ?
L25B Ga7 L25A Ga8A -52.9(5) . . . . ?
Cl26 Ga8A L25A Ga7 -71.31(10) . . . . ?
L28A Ga8A L25A Ga7 51.15(10) . . . . ?
Cl27 Ga8A L25A Ga7 171.57(9) . . . . ?
Ga8A Cl27 Ga8B Cl26 92.8(13) . . . . ?
Ga8A Cl27 Ga8B L28B -166.1(11) . . . . ?
Ga8A Cl27 Ga8B L25B -52.6(5) . . . . ?
Ga8A Cl26 Ga8B Cl27 -97.5(16) . . . . ?
L28B Cl26 Ga8B Cl27 123.2(13) . . . . ?
Ga8A Cl26 Ga8B L28B 139.2(8) . . . . ?
Ga8A Cl26 Ga8B L25B 43.5(5) . . . . ?
L28B Cl26 Ga8B L25B -95.8(10) . . . . ?
Cl27 Ga8B L28B Cl26 -135.0(6) . . . . ?
L25B Ga8B L28B Cl26 113.9(5) . . . . ?
Ga8A Cl26 L28B Ga8B -16.7(3) . . . . ?
Cl27 Ga8B L25B Ga7 -170.3(5) . . . . ?
Cl26 Ga8B L25B Ga7 35.3(11) . . . . ?
L28B Ga8B L25B Ga7 -39.6(10) . . . . ?
Cl23 Ga7 L25B Ga8B -50.9(7) . . . . ?
Cl24 Ga7 L25B Ga8B -163.6(6) . . . . ?
Cl22 Ga7 L25B Ga8B 78.8(7) . . . . ?
L25A Ga7 L25B Ga8B 57.2(6) . . . . ?
L21B Ga5B Cl18 Ga6B 64.5(3) . . . . ?
L20B Ga5B Cl18 Ga6B -177.0(2) . . . . ?
Cl19 Ga5B Cl18 Ga6B -61.19(18) . . . . ?
L21B Ga5B Cl18 Ga6A 68.0(3) . . . . ?
L20B Ga5B Cl18 Ga6A -173.5(2) . . . . ?
Cl19 Ga5B Cl18 Ga6A -57.73(16) . . . . ?
L21B Ga5B Cl18 Ga5A 42.3(3) . . . . ?
L20B Ga5B Cl18 Ga5A 160.8(3) . . . . ?
Cl19 Ga5B Cl18 Ga5A -83.4(2) . . . . ?
L17B Ga6B Cl18 Ga5B 148.08(16) . . . . ?
L15B Ga6B Cl18 Ga5B -94.27(13) . . . . ?
L16B Ga6B Cl18 Ga5B 29.30(17) . . . . ?
L17B Ga6B Cl18 Ga6A 133.2(3) . . . . ?
L15B Ga6B Cl18 Ga6A -109.1(3) . . . . ?
L16B Ga6B Cl18 Ga6A 14.4(2) . . . . ?
L17B Ga6B Cl18 Ga5A 153.91(12) . . . . ?
L15B Ga6B Cl18 Ga5A -88.44(10) . . . . ?
L16B Ga6B Cl18 Ga5A 35.13(13) . . . . ?
L17A Ga6A Cl18 Ga5B 103.21(17) . . . . ?
L15A Ga6A Cl18 Ga5B -130.39(14) . . . . ?
L16A Ga6A Cl18 Ga5B -13.16(15) . . . . ?
L17A Ga6A Cl18 Ga6B -90.1(3) . . . . ?
L15A Ga6A Cl18 Ga6B 36.3(2) . . . . ?
L16A Ga6A Cl18 Ga6B 153.5(3) . . . . ?
L17A Ga6A Cl18 Ga5A 109.58(14) . . . . ?
L15A Ga6A Cl18 Ga5A -124.02(13) . . . . ?
L16A Ga6A Cl18 Ga5A -6.79(12) . . . . ?
Cl19 Ga5A Cl18 Ga5B 76.1(2) . . . . ?
L21A Ga5A Cl18 Ga5B -160.5(3) . . . . ?
L20A Ga5A Cl18 Ga5B -41.2(2) . . . . ?
Cl19 Ga5A Cl18 Ga6B -84.23(9) . . . . ?
L21A Ga5A Cl18 Ga6B 39.19(14) . . . . ?
L20A Ga5A Cl18 Ga6B 158.48(11) . . . . ?
Cl19 Ga5A Cl18 Ga6A -79.73(7) . . . . ?
L21A Ga5A Cl18 Ga6A 43.70(13) . . . . ?
L20A Ga5A Cl18 Ga6A 162.98(11) . . . . ?
L21A Ga5A Cl19 Ga5B -140.8(2) . . . . ?
L20A Ga5A Cl19 Ga5B 74.31(19) . . . . ?
Cl18 Ga5A Cl19 Ga5B -34.18(14) . . . . ?
Cl18 Ga5B Cl19 Ga5A 125.9(2) . . . . ?
L21B Ga5B Cl19 Ga5A -0.8(3) . . . . ?
L20B Ga5B Cl19 Ga5A -132.0(3) . . . . ?

_diffrn_measured_fraction_theta_max 0.998
_diffrn_reflns_theta_full        27.88
_diffrn_measured_fraction_theta_full 0.998
_refine_diff_density_max         2.046
_refine_diff_density_min         -1.815
_refine_diff_density_rms         0.102
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_sad
_database_code_depnum_ccdc_archive 'CCDC 1060464'
_audit_update_record             
;
2015-04-18 deposited with the CCDC.
2015-06-05 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
 Spiro[1,3,2,4]diazaphosphasiletidine_core
;
_chemical_name_common            Spiro[1,3,2,4]diazaphosphasiletidine_core
_chemical_melting_point          ?
_chemical_formula_moiety         'C12 H36 Cl N4 P6 Si5, Ga Cl4, C6 H5 F'
_chemical_formula_sum            'C18 H41 Cl5 F Ga N4 P6 Si5'
_chemical_formula_weight         905.79

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'
P P 0.2955 0.4335 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.3639 0.7018 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ga Ga -1.2846 0.7763 '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'

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

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

_cell_length_a                   9.70570(10)
_cell_length_b                   18.1074(3)
_cell_length_c                   23.8559(4)
_cell_angle_alpha                90.00
_cell_angle_beta                 93.6770(10)
_cell_angle_gamma                90.00
_cell_volume                     4183.92(11)
_cell_formula_units_Z            4
_cell_measurement_temperature    153(1)
_cell_measurement_reflns_used    900
_cell_measurement_theta_min      1
_cell_measurement_theta_max      75

_exptl_crystal_description       irregular
_exptl_crystal_colour            colorless
_exptl_crystal_size_max          0.19
_exptl_crystal_size_mid          0.08
_exptl_crystal_size_min          0.05
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.438
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1848
_exptl_absorpt_coefficient_mu    7.587
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.3266
_exptl_absorpt_correction_T_max  0.7029
_exptl_absorpt_process_details   ?

_exptl_special_details           
; 
 Corrections were done with the SADABS program, utilizing the none merged
 raw data obtained from the integration process. Integration and final cell
 refinement were done with SAINT.

 SADABS reports ratio of Tmin/Tmax = 0.258213  
;

_diffrn_ambient_temperature      153(2)
_diffrn_radiation_wavelength     1.54178
_diffrn_radiation_type           CuK\a
_diffrn_radiation_source         'rotating anode'
_diffrn_radiation_monochromator  goebel-mirror
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'Omega and Phi scans'
_diffrn_detector_area_resol_mean 80
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            24341
_diffrn_reflns_av_R_equivalents  0.0391
_diffrn_reflns_av_sigmaI/netI    0.0365
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_theta_min         3.07
_diffrn_reflns_theta_max         68.24
_reflns_number_total             7461
_reflns_number_gt                6461
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'SMART (Bruker AXS, 2000)'
_computing_cell_refinement       'SAINT (Bruker AXS, 2000)'
_computing_data_reduction        'SAINT,SADABS (Bruker AXS, 2000)'
_computing_structure_solution    
;
SHELXS-97 , G. M. Sheldrick, Acta Cryst. (2008) A64, 112-122
;
_computing_structure_refinement  
;
SHELXL-97, G. M. Sheldrick, Acta Cryst. (2008) A64, 112-122
;
_computing_molecular_graphics    
;
ORTEP3,L.J. Farrugia, J. Appl. Cryst. (1997) 30, 565
;
_computing_publication_material  ?

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

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0810P)²+5.2008P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    noref
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         7461
_refine_ls_number_parameters     373
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0545
_refine_ls_R_factor_gt           0.0481
_refine_ls_wR_factor_ref         0.1440
_refine_ls_wR_factor_gt          0.1379
_refine_ls_goodness_of_fit_ref   1.058
_refine_ls_restrained_S_all      1.058
_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
C3 C 0.7574(4) 0.2864(2) 0.03026(16) 0.0425(9) Uani 1 1 d . . .
H3A H 0.7269 0.2381 0.0155 0.064 Uiso 1 1 calc R . .
H3B H 0.6934 0.3037 0.0576 0.064 Uiso 1 1 calc R . .
H3C H 0.8503 0.2818 0.0487 0.064 Uiso 1 1 calc R . .
C2 C 0.5906(4) 0.3593(3) -0.06642(18) 0.0482(9) Uani 1 1 d . . .
H2A H 0.5971 0.3907 -0.0996 0.072 Uiso 1 1 calc R . .
H2B H 0.5238 0.3806 -0.0419 0.072 Uiso 1 1 calc R . .
H2C H 0.5601 0.3098 -0.0782 0.072 Uiso 1 1 calc R . .
C7 C 1.2265(4) 0.3518(2) -0.0092(2) 0.0512(10) Uani 1 1 d . . .
H7A H 1.2570 0.3437 -0.0471 0.077 Uiso 1 1 calc R . .
H7B H 1.2947 0.3821 0.0123 0.077 Uiso 1 1 calc R . .
H7C H 1.1372 0.3773 -0.0117 0.077 Uiso 1 1 calc R . .
C1 C 0.8252(5) 0.4447(2) -0.0031(2) 0.0513(11) Uani 1 1 d . . .
H1A H 0.9173 0.4390 0.0157 0.077 Uiso 1 1 calc R . .
H1B H 0.7621 0.4652 0.0233 0.077 Uiso 1 1 calc R . .
H1C H 0.8302 0.4781 -0.0352 0.077 Uiso 1 1 calc R . .
C5 C 1.3250(4) 0.2350(3) -0.1505(2) 0.0643(14) Uani 1 1 d . . .
H5A H 1.3430 0.2858 -0.1380 0.096 Uiso 1 1 calc R . .
H5B H 1.3929 0.2207 -0.1772 0.096 Uiso 1 1 calc R . .
H5C H 1.3322 0.2017 -0.1181 0.096 Uiso 1 1 calc R . .
C10 C 0.7014(5) 0.1609(3) -0.1590(2) 0.0594(12) Uani 1 1 d . . .
H10A H 0.6701 0.2078 -0.1437 0.089 Uiso 1 1 calc R . .
H10B H 0.6244 0.1370 -0.1805 0.089 Uiso 1 1 calc R . .
H10C H 0.7766 0.1702 -0.1836 0.089 Uiso 1 1 calc R . .
C11 C 0.6294(5) 0.0841(3) -0.0501(2) 0.0646(13) Uani 1 1 d . . .
H11A H 0.6706 0.0599 -0.0163 0.097 Uiso 1 1 calc R . .
H11B H 0.5566 0.0525 -0.0675 0.097 Uiso 1 1 calc R . .
H11C H 0.5897 0.1316 -0.0398 0.097 Uiso 1 1 calc R . .
C4 C 1.1372(6) 0.2828(3) -0.25086(18) 0.0681(14) Uani 1 1 d . . .
H4A H 1.0416 0.2815 -0.2668 0.102 Uiso 1 1 calc R . .
H4B H 1.1983 0.2614 -0.2777 0.102 Uiso 1 1 calc R . .
H4C H 1.1643 0.3341 -0.2431 0.102 Uiso 1 1 calc R . .
C12 C 0.8272(5) 0.0096(2) -0.1262(3) 0.0658(14) Uani 1 1 d . . .
H12A H 0.8925 0.0183 -0.1551 0.099 Uiso 1 1 calc R . .
H12B H 0.7488 -0.0193 -0.1421 0.099 Uiso 1 1 calc R . .
H12C H 0.8734 -0.0176 -0.0948 0.099 Uiso 1 1 calc R . .
C6 C 1.0985(5) 0.1322(3) -0.1977(2) 0.0642(13) Uani 1 1 d . . .
H6A H 1.1000 0.1056 -0.1619 0.096 Uiso 1 1 calc R . .
H6B H 1.1627 0.1086 -0.2222 0.096 Uiso 1 1 calc R . .
H6C H 1.0050 0.1309 -0.2157 0.096 Uiso 1 1 calc R . .
C14 C 0.5461(6) 0.3552(4) 0.6753(2) 0.0774(17) Uani 1 1 d . . .
C9 C 1.3729(5) 0.2089(3) 0.0287(2) 0.0657(13) Uani 1 1 d . . .
H9A H 1.3596 0.1604 0.0456 0.099 Uiso 1 1 calc R . .
H9B H 1.4439 0.2362 0.0512 0.099 Uiso 1 1 calc R . .
H9C H 1.4020 0.2026 -0.0096 0.099 Uiso 1 1 calc R . .
C8 C 1.1492(6) 0.2743(4) 0.0982(2) 0.089(2) Uani 1 1 d . . .
H8A H 1.0586 0.2983 0.0958 0.133 Uiso 1 1 calc R . .
H8B H 1.2157 0.3053 0.1201 0.133 Uiso 1 1 calc R . .
H8C H 1.1422 0.2261 0.1166 0.133 Uiso 1 1 calc R . .
C15 C 0.6400(8) 0.3011(3) 0.6683(3) 0.0882(19) Uani 1 1 d . . .
H15 H 0.6171 0.2507 0.6736 0.106 Uiso 1 1 calc R . .
C16 C 0.7642(8) 0.3204(7) 0.6539(3) 0.120(4) Uani 1 1 d . . .
H16 H 0.8284 0.2819 0.6483 0.144 Uiso 1 1 calc R . .
C13 C 0.5781(8) 0.4284(4) 0.6682(3) 0.091(2) Uani 1 1 d . . .
H13 H 0.5129 0.4666 0.6730 0.109 Uiso 1 1 calc R . .
C17 C 0.8040(10) 0.3855(9) 0.6469(3) 0.142(5) Uani 1 1 d . . .
H17 H 0.8957 0.3956 0.6374 0.170 Uiso 1 1 calc R . .
C18 C 0.7094(13) 0.4428(5) 0.6536(3) 0.124(4) Uani 1 1 d . . .
H18 H 0.7369 0.4925 0.6480 0.149 Uiso 1 1 calc R . .
F1 F 0.4184(8) 0.3372(5) 0.6854(3) 0.214(3) Uani 1 1 d . . .
Ga1 Ga 0.41148(5) 0.94407(3) 0.32840(2) 0.04267(15) Uani 1 1 d . . .
P1 P 0.94393(8) 0.34333(4) -0.13320(3) 0.02850(19) Uani 1 1 d . . .
Si2 Si 0.76061(9) 0.35323(5) -0.02812(4) 0.0275(2) Uani 1 1 d . . .
Si5 Si 1.20830(10) 0.26107(6) 0.02651(4) 0.0363(2) Uani 1 1 d . . .
Si3 Si 0.97569(8) 0.23399(4) -0.07365(4) 0.02516(19) Uani 1 1 d . . .
P3 P 1.05068(11) 0.44830(5) -0.13333(4) 0.0414(2) Uani 1 1 d . . .
P6 P 1.00568(9) 0.12953(5) -0.00729(4) 0.0359(2) Uani 1 1 d . . .
Si1 Si 1.15121(10) 0.22907(5) -0.18482(4) 0.0344(2) Uani 1 1 d . . .
Si4 Si 0.76420(10) 0.09965(6) -0.10042(5) 0.0447(3) Uani 1 1 d . . .
Cl1 Cl 1.15376(11) 0.05656(5) -0.03873(6) 0.0589(3) Uani 1 1 d . . .
Cl3 Cl 0.48733(11) 0.93815(7) 0.41542(4) 0.0589(3) Uani 1 1 d . . .
P2 P 0.80087(11) 0.37913(6) -0.20129(4) 0.0472(3) Uani 1 1 d . . .
P5 P 0.97576(13) 0.45170(6) -0.22361(5) 0.0538(3) Uani 1 1 d . . .
Cl2 Cl 0.20717(10) 0.89377(6) 0.31758(5) 0.0557(3) Uani 1 1 d . . .
Cl4 Cl 0.39289(16) 1.05922(8) 0.30324(7) 0.0801(4) Uani 1 1 d . . .
P4 P 0.83916(14) 0.49038(6) -0.16137(5) 0.0589(3) Uani 1 1 d . . .
Cl5 Cl 0.55804(13) 0.88805(11) 0.27897(6) 0.0931(6) Uani 1 1 d . . .
N1 N 1.0342(3) 0.26584(14) -0.13740(11) 0.0288(6) Uani 1 1 d . . .
N2 N 0.8797(3) 0.31584(14) -0.07403(11) 0.0262(5) Uani 1 1 d . . .
N4 N 1.0819(3) 0.21361(15) -0.01608(12) 0.0302(6) Uani 1 1 d . . .
N3 N 0.9020(3) 0.14897(15) -0.06642(13) 0.0324(6) Uani 1 1 d . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
C3 Si2 1.847(4) . ?
C3 H3A 0.9800 . ?
C3 H3B 0.9800 . ?
C3 H3C 0.9800 . ?
C2 Si2 1.838(4) . ?
C2 H2A 0.9800 . ?
C2 H2B 0.9800 . ?
C2 H2C 0.9800 . ?
C7 Si5 1.865(4) . ?
C7 H7A 0.9800 . ?
C7 H7B 0.9800 . ?
C7 H7C 0.9800 . ?
C1 Si2 1.855(4) . ?
C1 H1A 0.9800 . ?
C1 H1B 0.9800 . ?
C1 H1C 0.9800 . ?
C5 Si1 1.830(4) . ?
C5 H5A 0.9800 . ?
C5 H5B 0.9800 . ?
C5 H5C 0.9800 . ?
C10 Si4 1.855(5) . ?
C10 H10A 0.9800 . ?
C10 H10B 0.9800 . ?
C10 H10C 0.9800 . ?
C11 Si4 1.853(5) . ?
C11 H11A 0.9800 . ?
C11 H11B 0.9800 . ?
C11 H11C 0.9800 . ?
C4 Si1 1.850(5) . ?
C4 H4A 0.9800 . ?
C4 H4B 0.9800 . ?
C4 H4C 0.9800 . ?
C12 Si4 1.860(4) . ?
C12 H12A 0.9800 . ?
C12 H12B 0.9800 . ?
C12 H12C 0.9800 . ?
C6 Si1 1.847(5) . ?
C6 H6A 0.9800 . ?
C6 H6B 0.9800 . ?
C6 H6C 0.9800 . ?
C14 F1 1.319(8) . ?
C14 C15 1.356(9) . ?
C14 C13 1.373(9) . ?
C9 Si5 1.853(5) . ?
C9 H9A 0.9800 . ?
C9 H9B 0.9800 . ?
C9 H9C 0.9800 . ?
C8 Si5 1.854(5) . ?
C8 H8A 0.9800 . ?
C8 H8B 0.9800 . ?
C8 H8C 0.9800 . ?
C15 C16 1.321(11) . ?
C15 H15 0.9500 . ?
C16 C17 1.255(14) . ?
C16 H16 0.9500 . ?
C13 C18 1.367(12) . ?
C13 H13 0.9500 . ?
C17 C18 1.402(14) . ?
C17 H17 0.9500 . ?
C18 H18 0.9500 . ?
Ga1 Cl5 2.1583(13) . ?
Ga1 Cl3 2.1602(11) . ?
Ga1 Cl4 2.1740(14) . ?
Ga1 Cl2 2.1824(11) . ?
P1 N2 1.656(3) . ?
P1 N1 1.661(3) . ?
P1 P3 2.1648(12) . ?
P1 P2 2.1672(13) . ?
P1 Si3 2.4450(11) . ?
Si2 N2 1.776(3) . ?
Si5 N4 1.765(3) . ?
Si3 N4 1.704(3) . ?
Si3 N3 1.711(3) . ?
Si3 N2 1.751(3) . ?
Si3 N1 1.755(3) . ?
Si3 P6 2.4717(12) . ?
P3 P5 2.2294(15) . ?
P3 P4 2.2509(16) . ?
P6 N4 1.711(3) . ?
P6 N3 1.716(3) . ?
P6 Cl1 2.1242(13) . ?
Si1 N1 1.783(3) . ?
Si4 N3 1.762(3) . ?
P2 P5 2.2378(16) . ?
P2 P4 2.2490(18) . ?
P5 P4 2.1692(17) . ?

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
Si2 C3 H3A 109.5 . . ?
Si2 C3 H3B 109.5 . . ?
H3A C3 H3B 109.5 . . ?
Si2 C3 H3C 109.5 . . ?
H3A C3 H3C 109.5 . . ?
H3B C3 H3C 109.5 . . ?
Si2 C2 H2A 109.5 . . ?
Si2 C2 H2B 109.5 . . ?
H2A C2 H2B 109.5 . . ?
Si2 C2 H2C 109.5 . . ?
H2A C2 H2C 109.5 . . ?
H2B C2 H2C 109.5 . . ?
Si5 C7 H7A 109.5 . . ?
Si5 C7 H7B 109.5 . . ?
H7A C7 H7B 109.5 . . ?
Si5 C7 H7C 109.5 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?
Si2 C1 H1A 109.5 . . ?
Si2 C1 H1B 109.5 . . ?
H1A C1 H1B 109.5 . . ?
Si2 C1 H1C 109.5 . . ?
H1A C1 H1C 109.5 . . ?
H1B C1 H1C 109.5 . . ?
Si1 C5 H5A 109.5 . . ?
Si1 C5 H5B 109.5 . . ?
H5A C5 H5B 109.5 . . ?
Si1 C5 H5C 109.5 . . ?
H5A C5 H5C 109.5 . . ?
H5B C5 H5C 109.5 . . ?
Si4 C10 H10A 109.5 . . ?
Si4 C10 H10B 109.5 . . ?
H10A C10 H10B 109.5 . . ?
Si4 C10 H10C 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
Si4 C11 H11A 109.5 . . ?
Si4 C11 H11B 109.5 . . ?
H11A C11 H11B 109.5 . . ?
Si4 C11 H11C 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
Si1 C4 H4A 109.5 . . ?
Si1 C4 H4B 109.5 . . ?
H4A C4 H4B 109.5 . . ?
Si1 C4 H4C 109.5 . . ?
H4A C4 H4C 109.5 . . ?
H4B C4 H4C 109.5 . . ?
Si4 C12 H12A 109.5 . . ?
Si4 C12 H12B 109.5 . . ?
H12A C12 H12B 109.5 . . ?
Si4 C12 H12C 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
Si1 C6 H6A 109.5 . . ?
Si1 C6 H6B 109.5 . . ?
H6A C6 H6B 109.5 . . ?
Si1 C6 H6C 109.5 . . ?
H6A C6 H6C 109.5 . . ?
H6B C6 H6C 109.5 . . ?
F1 C14 C15 119.3(7) . . ?
F1 C14 C13 119.0(8) . . ?
C15 C14 C13 121.5(6) . . ?
Si5 C9 H9A 109.5 . . ?
Si5 C9 H9B 109.5 . . ?
H9A C9 H9B 109.5 . . ?
Si5 C9 H9C 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
Si5 C8 H8A 109.5 . . ?
Si5 C8 H8B 109.5 . . ?
H8A C8 H8B 109.5 . . ?
Si5 C8 H8C 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
C16 C15 C14 118.2(7) . . ?
C16 C15 H15 120.9 . . ?
C14 C15 H15 120.9 . . ?
C17 C16 C15 125.2(9) . . ?
C17 C16 H16 117.4 . . ?
C15 C16 H16 117.4 . . ?
C18 C13 C14 116.0(7) . . ?
C18 C13 H13 122.0 . . ?
C14 C13 H13 122.0 . . ?
C16 C17 C18 118.1(8) . . ?
C16 C17 H17 121.0 . . ?
C18 C17 H17 121.0 . . ?
C13 C18 C17 121.0(8) . . ?
C13 C18 H18 119.5 . . ?
C17 C18 H18 119.5 . . ?
Cl5 Ga1 Cl3 107.81(6) . . ?
Cl5 Ga1 Cl4 110.24(8) . . ?
Cl3 Ga1 Cl4 109.27(6) . . ?
Cl5 Ga1 Cl2 111.40(5) . . ?
Cl3 Ga1 Cl2 110.12(5) . . ?
Cl4 Ga1 Cl2 108.00(5) . . ?
N2 P1 N1 91.51(13) . . ?
N2 P1 P3 118.14(10) . . ?
N1 P1 P3 119.17(10) . . ?
N2 P1 P2 118.07(10) . . ?
N1 P1 P2 121.51(10) . . ?
P3 P1 P2 91.15(5) . . ?
N2 P1 Si3 45.70(9) . . ?
N1 P1 Si3 45.84(9) . . ?
P3 P1 Si3 132.01(5) . . ?
P2 P1 Si3 136.76(5) . . ?
N2 Si2 C2 108.37(16) . . ?
N2 Si2 C3 104.96(14) . . ?
C2 Si2 C3 110.87(19) . . ?
N2 Si2 C1 108.59(15) . . ?
C2 Si2 C1 112.4(2) . . ?
C3 Si2 C1 111.4(2) . . ?
N4 Si5 C9 109.52(19) . . ?
N4 Si5 C8 110.4(2) . . ?
C9 Si5 C8 110.9(3) . . ?
N4 Si5 C7 104.38(16) . . ?
C9 Si5 C7 110.8(2) . . ?
C8 Si5 C7 110.6(3) . . ?
N4 Si3 N3 87.65(14) . . ?
N4 Si3 N2 118.81(13) . . ?
N3 Si3 N2 122.45(13) . . ?
N4 Si3 N1 123.86(14) . . ?
N3 Si3 N1 122.94(14) . . ?
N2 Si3 N1 85.35(12) . . ?
N4 Si3 P1 133.71(10) . . ?
N3 Si3 P1 138.53(11) . . ?
N2 Si3 P1 42.62(8) . . ?
N1 Si3 P1 42.77(9) . . ?
N4 Si3 P6 43.76(9) . . ?
N3 Si3 P6 43.92(10) . . ?
N2 Si3 P6 133.79(9) . . ?
N1 Si3 P6 140.83(10) . . ?
P1 Si3 P6 175.69(5) . . ?
P1 P3 P5 84.21(5) . . ?
P1 P3 P4 82.54(5) . . ?
P5 P3 P4 57.91(5) . . ?
N4 P6 N3 87.24(13) . . ?
N4 P6 Cl1 101.69(10) . . ?
N3 P6 Cl1 102.22(11) . . ?
N4 P6 Si3 43.52(10) . . ?
N3 P6 Si3 43.75(9) . . ?
Cl1 P6 Si3 107.72(5) . . ?
N1 Si1 C5 107.51(17) . . ?
N1 Si1 C6 106.22(17) . . ?
C5 Si1 C6 111.6(3) . . ?
N1 Si1 C4 109.20(18) . . ?
C5 Si1 C4 111.4(3) . . ?
C6 Si1 C4 110.7(3) . . ?
N3 Si4 C11 109.0(2) . . ?
N3 Si4 C10 104.27(18) . . ?
C11 Si4 C10 111.5(2) . . ?
N3 Si4 C12 109.91(18) . . ?
C11 Si4 C12 109.9(2) . . ?
C10 Si4 C12 112.0(3) . . ?
P1 P2 P5 83.95(5) . . ?
P1 P2 P4 82.53(5) . . ?
P5 P2 P4 57.82(5) . . ?
P4 P5 P3 61.54(5) . . ?
P4 P5 P2 61.35(6) . . ?
P3 P5 P2 87.67(5) . . ?
P5 P4 P2 60.83(5) . . ?
P5 P4 P3 60.55(5) . . ?
P2 P4 P3 86.87(5) . . ?
P1 N1 Si3 91.39(13) . . ?
P1 N1 Si1 135.55(17) . . ?
Si3 N1 Si1 133.01(16) . . ?
P1 N2 Si3 91.69(12) . . ?
P1 N2 Si2 134.94(16) . . ?
Si3 N2 Si2 133.37(15) . . ?
Si3 N4 P6 92.73(14) . . ?
Si3 N4 Si5 136.11(17) . . ?
P6 N4 Si5 130.73(17) . . ?
Si3 N3 P6 92.33(14) . . ?
Si3 N3 Si4 136.01(19) . . ?
P6 N3 Si4 131.46(17) . . ?

_diffrn_measured_fraction_theta_max 0.974
_diffrn_reflns_theta_full        68.24
_diffrn_measured_fraction_theta_full 0.974
_refine_diff_density_max         1.259
_refine_diff_density_min         -0.633
_refine_diff_density_rms         0.090
