# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2017

####################################################################### 
# 
# 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_4
_database_code_depnum_ccdc_archive 'CCDC 1537655'
_audit_update_record             
;
2017-03-13 deposited with the CCDC.
2017-06-02 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2013
_chemical_name_systematic        
;
 ?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C21 H56 N6 Si4 Sr'
_chemical_formula_sum            'C21 H56 N6 Si4 Sr'
_chemical_formula_weight         592.69

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'
Sr Sr -1.5307 3.2498 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      orthorhombic
_space_group_IT_number           19
_space_group_name_H-M_alt        'P 21 21 21'
_space_group_name_Hall           'P 2ac 2ab'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;

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

_cell_length_a                   10.6835(18)
_cell_length_b                   17.274(3)
_cell_length_c                   17.745(3)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     3274.8(10)
_cell_formula_units_Z            4
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    2063
_cell_measurement_theta_min      2.23
_cell_measurement_theta_max      23.53


_exptl_crystal_description       block
_exptl_crystal_colour            colourless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.202
_exptl_crystal_F_000             1272
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.270
_exptl_crystal_size_mid          0.160
_exptl_crystal_size_min          0.130
_exptl_absorpt_coefficient_mu    1.812
_shelx_estimated_absorpt_T_min   0.640
_shelx_estimated_absorpt_T_max   0.799
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.4237
_exptl_absorpt_correction_T_max  0.7454
_exptl_absorpt_process_details   'Sadabs Bruker'

_exptl_special_details           
;
 ?
;

_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         microsource
_diffrn_radiation_monochromator  'multilayer optics'
_diffrn_measurement_device_type  'Bruker APEX-I CCD'
_diffrn_measurement_method       'ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            10065
_diffrn_reflns_av_unetI/netI     0.1437
_diffrn_reflns_av_R_equivalents  0.0603
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_theta_min         1.645
_diffrn_reflns_theta_max         26.419
_diffrn_reflns_theta_full        25.000
_diffrn_measured_fraction_theta_max 0.938
_diffrn_measured_fraction_theta_full 0.953
_diffrn_reflns_Laue_measured_fraction_max 0.938
_diffrn_reflns_Laue_measured_fraction_full 0.953
_diffrn_reflns_point_group_measured_fraction_max 0.914
_diffrn_reflns_point_group_measured_fraction_full 0.935
_reflns_number_total             6158
_reflns_number_gt                4488
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.740
_reflns_Friedel_fraction_max     0.884
_reflns_Friedel_fraction_full    0.912

_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;

_computing_data_collection       'Bruker SMART (2001)'
_computing_cell_refinement       'Bruker SMART (2001)'
_computing_data_reduction        'Bruker SAINT+ (1999)'
_computing_structure_solution    'SIR-92 (Altomare 1992)'
_computing_structure_refinement  'SHELXL-2013 (Sheldrick, 2013)'
_computing_molecular_graphics    'ORTEP-III (Farrugia, 1999)'


_refine_special_details          
;
 ?
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     'w=1/[σ²(Fo²)] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   mixed
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_abs_structure_details 
;
 Flack x determined using 1499 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons and Flack (2004), Acta Cryst. A60, s61).
;
_refine_ls_abs_structure_Flack   0.092(10)
_chemical_absolute_configuration ?
_refine_ls_number_reflns         6158
_refine_ls_number_parameters     305
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0894
_refine_ls_R_factor_gt           0.0572
_refine_ls_wR_factor_ref         0.1262
_refine_ls_wR_factor_gt          0.1131
_refine_ls_goodness_of_fit_ref   0.928
_refine_ls_restrained_S_all      0.928
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Sr1 Sr 0.41193(5) -0.00244(5) 0.11580(4) 0.01825(19) Uani 1 1 d . . . . .
Si1 Si 0.42579(19) -0.18559(13) 0.07230(14) 0.0229(5) Uani 1 1 d . . . . .
Si2 Si 0.18787(18) -0.16920(15) 0.16240(15) 0.0286(6) Uani 1 1 d . . . . .
H2 H 0.175(7) -0.252(4) 0.158(5) 0.034 Uiso 1 1 d . U . . .
Si3 Si 0.17332(19) 0.10079(15) 0.02978(15) 0.0255(6) Uani 1 1 d . . . . .
Si4 Si 0.16379(18) 0.12345(15) 0.19670(15) 0.0257(6) Uani 1 1 d . . . . .
N1 N 0.5627(5) -0.1244(4) 0.0699(4) 0.0209(16) Uani 1 1 d . . . . .
N2 N 0.5728(5) -0.0453(4) 0.2265(4) 0.0228(16) Uani 1 1 d . . . . .
N3 N 0.5877(5) 0.1105(4) 0.1489(4) 0.0246(16) Uani 1 1 d . . . . .
N4 N 0.5817(6) 0.0324(4) -0.0066(4) 0.0285(17) Uani 1 1 d . . . . .
N5 N 0.3258(5) -0.1378(4) 0.1278(4) 0.0262(17) Uani 1 1 d . . . . .
N6 N 0.2214(5) 0.0839(4) 0.1176(4) 0.0201(15) Uani 1 1 d . . . . .
C1 C 0.6568(7) -0.1380(5) 0.1292(5) 0.032(2) Uani 1 1 d . . . . .
H1A H 0.7292 -0.1035 0.1198 0.039 Uiso 1 1 calc R U . . .
H1B H 0.6868 -0.1920 0.1249 0.039 Uiso 1 1 calc R U . . .
C2 C 0.6124(8) -0.1250(5) 0.2084(5) 0.034(2) Uani 1 1 d . . . . .
H2A H 0.5411 -0.1602 0.2181 0.041 Uiso 1 1 calc R U . . .
H2B H 0.6807 -0.1398 0.2433 0.041 Uiso 1 1 calc R U . . .
C3 C 0.6799(6) 0.0070(6) 0.2318(5) 0.033(2) Uani 1 1 d . . . . .
H3A H 0.7403 -0.0057 0.1913 0.040 Uiso 1 1 calc R U . . .
H3B H 0.7224 -0.0012 0.2808 0.040 Uiso 1 1 calc R U . . .
C4 C 0.6428(7) 0.0904(6) 0.2251(6) 0.034(3) Uani 1 1 d . . . . .
H4A H 0.7173 0.1232 0.2341 0.041 Uiso 1 1 calc R U . . .
H4B H 0.5805 0.1025 0.2647 0.041 Uiso 1 1 calc R U . . .
C5 C 0.6873(7) 0.1140(5) 0.0925(5) 0.033(2) Uani 1 1 d . . . . .
H5A H 0.7461 0.0706 0.1012 0.040 Uiso 1 1 calc R U . . .
H5B H 0.7344 0.1629 0.0992 0.040 Uiso 1 1 calc R U . . .
C6 C 0.6401(7) 0.1099(6) 0.0133(6) 0.035(3) Uani 1 1 d . . . . .
H6A H 0.7105 0.1201 -0.0216 0.042 Uiso 1 1 calc R U . . .
H6B H 0.5770 0.1511 0.0057 0.042 Uiso 1 1 calc R U . . .
C7 C 0.6781(7) -0.0283(5) -0.0105(5) 0.036(3) Uani 1 1 d . . . . .
H7A H 0.7397 -0.0198 0.0303 0.044 Uiso 1 1 calc R U . . .
H7B H 0.7230 -0.0238 -0.0592 0.044 Uiso 1 1 calc R U . . .
C8 C 0.6251(7) -0.1097(5) -0.0035(6) 0.031(2) Uani 1 1 d . . . . .
H8A H 0.5640 -0.1183 -0.0445 0.038 Uiso 1 1 calc R U . . .
H8B H 0.6939 -0.1475 -0.0100 0.038 Uiso 1 1 calc R U . . .
C9 C 0.5112(7) -0.0500(5) 0.3007(5) 0.036(2) Uani 1 1 d . . . . .
H9A H 0.4334 -0.0796 0.2961 0.054 Uiso 1 1 calc R U . . .
H9B H 0.4921 0.0024 0.3187 0.054 Uiso 1 1 calc R U . . .
H9C H 0.5671 -0.0757 0.3366 0.054 Uiso 1 1 calc R U . . .
C10 C 0.5245(7) 0.1866(5) 0.1551(5) 0.031(2) Uani 1 1 d . . . . .
H10A H 0.5833 0.2248 0.1755 0.047 Uiso 1 1 calc R U . . .
H10B H 0.4523 0.1820 0.1889 0.047 Uiso 1 1 calc R U . . .
H10C H 0.4962 0.2032 0.1052 0.047 Uiso 1 1 calc R U . . .
C11 C 0.5242(7) 0.0409(5) -0.0823(5) 0.033(2) Uani 1 1 d . . . . .
H11A H 0.5885 0.0564 -0.1187 0.049 Uiso 1 1 calc R U . . .
H11B H 0.4586 0.0805 -0.0803 0.049 Uiso 1 1 calc R U . . .
H11C H 0.4876 -0.0086 -0.0978 0.049 Uiso 1 1 calc R U . . .
C12 C 0.4727(8) -0.2848(5) 0.1044(6) 0.038(2) Uani 1 1 d . . . . .
H12A H 0.4984 -0.2828 0.1574 0.057 Uiso 1 1 calc R U . . .
H12B H 0.5426 -0.3034 0.0736 0.057 Uiso 1 1 calc R U . . .
H12C H 0.4015 -0.3202 0.0991 0.057 Uiso 1 1 calc R U . . .
C13 C 0.3690(7) -0.1961(5) -0.0262(5) 0.031(2) Uani 1 1 d . . . . .
H13A H 0.2938 -0.2287 -0.0268 0.047 Uiso 1 1 calc R U . . .
H13B H 0.4343 -0.2203 -0.0570 0.047 Uiso 1 1 calc R U . . .
H13C H 0.3488 -0.1450 -0.0468 0.047 Uiso 1 1 calc R U . . .
C14 C 0.0480(7) -0.1219(5) 0.1179(6) 0.037(2) Uani 1 1 d . . . . .
H14A H 0.0538 -0.0656 0.1242 0.055 Uiso 1 1 calc R U . . .
H14B H -0.0285 -0.1408 0.1422 0.055 Uiso 1 1 calc R U . . .
H14C H 0.0457 -0.1345 0.0641 0.055 Uiso 1 1 calc R U . . .
C15 C 0.1730(8) -0.1523(6) 0.2655(5) 0.045(3) Uani 1 1 d . . . . .
H15A H 0.2476 -0.1722 0.2912 0.067 Uiso 1 1 calc R U . . .
H15B H 0.0986 -0.1793 0.2845 0.067 Uiso 1 1 calc R U . . .
H15C H 0.1648 -0.0967 0.2751 0.067 Uiso 1 1 calc R U . . .
C16 C 0.2047(7) 0.0144(6) -0.0325(5) 0.034(2) Uani 1 1 d . . . . .
H16A H 0.2936 0.0007 -0.0297 0.051 Uiso 1 1 calc R U . . .
H16B H 0.1828 0.0272 -0.0847 0.051 Uiso 1 1 calc R U . . .
H16C H 0.1539 -0.0295 -0.0155 0.051 Uiso 1 1 calc R U . . .
C17 C 0.2566(8) 0.1860(5) -0.0145(6) 0.041(3) Uani 1 1 d . . . . .
H17A H 0.2353 0.2334 0.0130 0.062 Uiso 1 1 calc R U . . .
H17B H 0.2304 0.1912 -0.0672 0.062 Uiso 1 1 calc R U . . .
H17C H 0.3472 0.1776 -0.0123 0.062 Uiso 1 1 calc R U . . .
C18 C 0.0016(7) 0.1220(6) 0.0176(6) 0.047(3) Uani 1 1 d . . . . .
H18A H -0.0471 0.0756 0.0298 0.070 Uiso 1 1 calc R U . . .
H18B H -0.0146 0.1371 -0.0348 0.070 Uiso 1 1 calc R U . . .
H18C H -0.0227 0.1643 0.0513 0.070 Uiso 1 1 calc R U . . .
C19 C 0.0008(7) 0.0919(6) 0.2224(6) 0.040(3) Uani 1 1 d . . . . .
H19A H -0.0564 0.1040 0.1809 0.060 Uiso 1 1 calc R U . . .
H19B H -0.0263 0.1193 0.2679 0.060 Uiso 1 1 calc R U . . .
H19C H 0.0001 0.0360 0.2318 0.060 Uiso 1 1 calc R U . . .
C20 C 0.1588(8) 0.2319(5) 0.1937(6) 0.046(3) Uani 1 1 d . . . . .
H20A H 0.2423 0.2520 0.1820 0.069 Uiso 1 1 calc R U . . .
H20B H 0.1316 0.2518 0.2427 0.069 Uiso 1 1 calc R U . . .
H20C H 0.0997 0.2487 0.1547 0.069 Uiso 1 1 calc R U . . .
C21 C 0.2613(8) 0.0958(6) 0.2804(5) 0.044(3) Uani 1 1 d . . . . .
H21A H 0.2528 0.0402 0.2899 0.066 Uiso 1 1 calc R U . . .
H21B H 0.2329 0.1247 0.3248 0.066 Uiso 1 1 calc R U . . .
H21C H 0.3493 0.1081 0.2704 0.066 Uiso 1 1 calc R U . . .


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

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Sr1 N5 2.522(6) . ?
Sr1 N6 2.523(5) . ?
Sr1 N2 2.713(6) . ?
Sr1 N3 2.770(6) . ?
Sr1 N1 2.774(6) . ?
Sr1 N4 2.892(7) . ?
Sr1 Si1 3.260(3) . ?
Sr1 Si3 3.465(2) . ?
Sr1 Si4 3.717(2) . ?
Si1 N5 1.671(7) . ?
Si1 N1 1.805(6) . ?
Si1 C13 1.860(9) . ?
Si1 C12 1.874(9) . ?
Si2 N5 1.686(6) . ?
Si2 C15 1.859(10) . ?
Si2 C14 1.877(8) . ?
Si2 H2 1.44(8) . ?
Si3 N6 1.667(7) . ?
Si3 C18 1.883(8) . ?
Si3 C16 1.886(9) . ?
Si3 C17 1.891(10) . ?
Si4 N6 1.678(7) . ?
Si4 C20 1.876(10) . ?
Si4 C21 1.877(9) . ?
Si4 C19 1.881(8) . ?
N1 C1 1.475(10) . ?
N1 C8 1.484(11) . ?
N2 C3 1.460(10) . ?
N2 C9 1.473(11) . ?
N2 C2 1.476(11) . ?
N3 C5 1.462(10) . ?
N3 C10 1.482(10) . ?
N3 C4 1.515(11) . ?
N4 C7 1.471(9) . ?
N4 C11 1.484(10) . ?
N4 C6 1.519(11) . ?
C1 C2 1.499(12) . ?
C1 H1A 0.9900 . ?
C1 H1B 0.9900 . ?
C2 H2A 0.9900 . ?
C2 H2B 0.9900 . ?
C3 C4 1.500(13) . ?
C3 H3A 0.9900 . ?
C3 H3B 0.9900 . ?
C4 H4A 0.9900 . ?
C4 H4B 0.9900 . ?
C5 C6 1.495(13) . ?
C5 H5A 0.9900 . ?
C5 H5B 0.9900 . ?
C6 H6A 0.9900 . ?
C6 H6B 0.9900 . ?
C7 C8 1.522(12) . ?
C7 H7A 0.9900 . ?
C7 H7B 0.9900 . ?
C8 H8A 0.9900 . ?
C8 H8B 0.9900 . ?
C9 H9A 0.9800 . ?
C9 H9B 0.9800 . ?
C9 H9C 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 . ?
C12 H12A 0.9800 . ?
C12 H12B 0.9800 . ?
C12 H12C 0.9800 . ?
C13 H13A 0.9800 . ?
C13 H13B 0.9800 . ?
C13 H13C 0.9800 . ?
C14 H14A 0.9800 . ?
C14 H14B 0.9800 . ?
C14 H14C 0.9800 . ?
C15 H15A 0.9800 . ?
C15 H15B 0.9800 . ?
C15 H15C 0.9800 . ?
C16 H16A 0.9800 . ?
C16 H16B 0.9800 . ?
C16 H16C 0.9800 . ?
C17 H17A 0.9800 . ?
C17 H17B 0.9800 . ?
C17 H17C 0.9800 . ?
C18 H18A 0.9800 . ?
C18 H18B 0.9800 . ?
C18 H18C 0.9800 . ?
C19 H19A 0.9800 . ?
C19 H19B 0.9800 . ?
C19 H19C 0.9800 . ?
C20 H20A 0.9800 . ?
C20 H20B 0.9800 . ?
C20 H20C 0.9800 . ?
C21 H21A 0.9800 . ?
C21 H21B 0.9800 . ?
C21 H21C 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
N5 Sr1 N6 104.64(19) . . ?
N5 Sr1 N2 85.2(2) . . ?
N6 Sr1 N2 131.5(2) . . ?
N5 Sr1 N3 151.9(2) . . ?
N6 Sr1 N3 97.34(19) . . ?
N2 Sr1 N3 67.0(2) . . ?
N5 Sr1 N1 62.12(18) . . ?
N6 Sr1 N1 157.0(2) . . ?
N2 Sr1 N1 68.77(19) . . ?
N3 Sr1 N1 101.74(18) . . ?
N5 Sr1 N4 119.0(2) . . ?
N6 Sr1 N4 113.1(2) . . ?
N2 Sr1 N4 101.72(19) . . ?
N3 Sr1 N4 65.7(2) . . ?
N1 Sr1 N4 64.73(19) . . ?
N6 Sr1 Si1 127.82(14) . . ?
N2 Sr1 Si1 83.00(15) . . ?
N3 Sr1 Si1 134.65(13) . . ?
N4 Sr1 Si1 89.74(14) . . ?
N5 Sr1 Si3 104.25(14) . . ?
N2 Sr1 Si3 157.72(14) . . ?
N3 Sr1 Si3 103.27(14) . . ?
N1 Sr1 Si3 133.50(15) . . ?
N4 Sr1 Si3 91.35(14) . . ?
Si1 Sr1 Si3 115.37(6) . . ?
N5 Sr1 Si4 104.46(14) . . ?
N2 Sr1 Si4 109.37(14) . . ?
N3 Sr1 Si4 89.40(13) . . ?
N1 Sr1 Si4 166.35(13) . . ?
N4 Sr1 Si4 127.99(14) . . ?
Si1 Sr1 Si4 133.75(5) . . ?
N5 Si1 N1 104.0(3) . . ?
N5 Si1 C13 113.2(4) . . ?
N1 Si1 C13 107.4(3) . . ?
N5 Si1 C12 116.3(4) . . ?
N1 Si1 C12 109.1(3) . . ?
C13 Si1 C12 106.5(4) . . ?
C13 Si1 Sr1 107.6(3) . . ?
C12 Si1 Sr1 145.9(3) . . ?
N5 Si2 C15 112.5(4) . . ?
N5 Si2 C14 113.8(4) . . ?
C15 Si2 C14 106.1(4) . . ?
N5 Si2 H2 112(3) . . ?
C15 Si2 H2 101(3) . . ?
C14 Si2 H2 110(3) . . ?
N6 Si3 C18 116.2(4) . . ?
N6 Si3 C16 110.8(4) . . ?
C18 Si3 C16 105.0(4) . . ?
N6 Si3 C17 112.3(4) . . ?
C18 Si3 C17 105.0(4) . . ?
C16 Si3 C17 106.8(4) . . ?
C18 Si3 Sr1 150.2(4) . . ?
C16 Si3 Sr1 73.8(3) . . ?
C17 Si3 Sr1 103.7(3) . . ?
N6 Si4 C20 113.2(4) . . ?
N6 Si4 C21 110.8(4) . . ?
C20 Si4 C21 107.0(5) . . ?
N6 Si4 C19 115.1(4) . . ?
C20 Si4 C19 105.6(4) . . ?
C21 Si4 C19 104.4(4) . . ?
C20 Si4 Sr1 126.4(3) . . ?
C21 Si4 Sr1 76.2(3) . . ?
C19 Si4 Sr1 125.8(3) . . ?
C1 N1 C8 110.3(6) . . ?
C1 N1 Si1 116.2(5) . . ?
C8 N1 Si1 119.0(5) . . ?
C1 N1 Sr1 107.9(5) . . ?
C8 N1 Sr1 112.9(5) . . ?
Si1 N1 Sr1 88.1(2) . . ?
C3 N2 C9 109.1(6) . . ?
C3 N2 C2 111.5(6) . . ?
C9 N2 C2 105.8(6) . . ?
C3 N2 Sr1 112.0(5) . . ?
C9 N2 Sr1 112.2(5) . . ?
C2 N2 Sr1 106.1(5) . . ?
C5 N3 C10 110.2(6) . . ?
C5 N3 C4 109.7(6) . . ?
C10 N3 C4 108.2(6) . . ?
C5 N3 Sr1 112.2(5) . . ?
C10 N3 Sr1 109.4(4) . . ?
C4 N3 Sr1 106.9(5) . . ?
C7 N4 C11 108.5(7) . . ?
C7 N4 C6 110.6(6) . . ?
C11 N4 C6 107.0(7) . . ?
C7 N4 Sr1 109.1(5) . . ?
C11 N4 Sr1 116.2(5) . . ?
C6 N4 Sr1 105.4(5) . . ?
Si1 N5 Si2 127.9(4) . . ?
Si1 N5 Sr1 100.1(3) . . ?
Si2 N5 Sr1 130.4(3) . . ?
Si3 N6 Si4 126.7(3) . . ?
Si3 N6 Sr1 109.9(3) . . ?
Si4 N6 Sr1 123.2(3) . . ?
N1 C1 C2 115.4(6) . . ?
N1 C1 H1A 108.4 . . ?
C2 C1 H1A 108.4 . . ?
N1 C1 H1B 108.4 . . ?
C2 C1 H1B 108.4 . . ?
H1A C1 H1B 107.5 . . ?
N2 C2 C1 115.7(7) . . ?
N2 C2 H2A 108.3 . . ?
C1 C2 H2A 108.3 . . ?
N2 C2 H2B 108.3 . . ?
C1 C2 H2B 108.3 . . ?
H2A C2 H2B 107.4 . . ?
N2 C3 C4 112.4(6) . . ?
N2 C3 H3A 109.1 . . ?
C4 C3 H3A 109.1 . . ?
N2 C3 H3B 109.1 . . ?
C4 C3 H3B 109.1 . . ?
H3A C3 H3B 107.8 . . ?
C3 C4 N3 113.2(7) . . ?
C3 C4 H4A 108.9 . . ?
N3 C4 H4A 108.9 . . ?
C3 C4 H4B 108.9 . . ?
N3 C4 H4B 108.9 . . ?
H4A C4 H4B 107.8 . . ?
N3 C5 C6 113.3(6) . . ?
N3 C5 H5A 108.9 . . ?
C6 C5 H5A 108.9 . . ?
N3 C5 H5B 108.9 . . ?
C6 C5 H5B 108.9 . . ?
H5A C5 H5B 107.7 . . ?
C5 C6 N4 113.5(8) . . ?
C5 C6 H6A 108.9 . . ?
N4 C6 H6A 108.9 . . ?
C5 C6 H6B 108.9 . . ?
N4 C6 H6B 108.9 . . ?
H6A C6 H6B 107.7 . . ?
N4 C7 C8 113.2(6) . . ?
N4 C7 H7A 108.9 . . ?
C8 C7 H7A 108.9 . . ?
N4 C7 H7B 108.9 . . ?
C8 C7 H7B 108.9 . . ?
H7A C7 H7B 107.8 . . ?
N1 C8 C7 113.4(7) . . ?
N1 C8 H8A 108.9 . . ?
C7 C8 H8A 108.9 . . ?
N1 C8 H8B 108.9 . . ?
C7 C8 H8B 108.9 . . ?
H8A C8 H8B 107.7 . . ?
N2 C9 H9A 109.5 . . ?
N2 C9 H9B 109.5 . . ?
H9A C9 H9B 109.5 . . ?
N2 C9 H9C 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
N3 C10 H10A 109.5 . . ?
N3 C10 H10B 109.5 . . ?
H10A C10 H10B 109.5 . . ?
N3 C10 H10C 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
N4 C11 H11A 109.5 . . ?
N4 C11 H11B 109.5 . . ?
H11A C11 H11B 109.5 . . ?
N4 C11 H11C 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
Si1 C12 H12A 109.5 . . ?
Si1 C12 H12B 109.5 . . ?
H12A C12 H12B 109.5 . . ?
Si1 C12 H12C 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
Si1 C13 H13A 109.5 . . ?
Si1 C13 H13B 109.5 . . ?
H13A C13 H13B 109.5 . . ?
Si1 C13 H13C 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
Si2 C14 H14A 109.5 . . ?
Si2 C14 H14B 109.5 . . ?
H14A C14 H14B 109.5 . . ?
Si2 C14 H14C 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
Si2 C15 H15A 109.5 . . ?
Si2 C15 H15B 109.5 . . ?
H15A C15 H15B 109.5 . . ?
Si2 C15 H15C 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
Si3 C16 H16A 109.5 . . ?
Si3 C16 H16B 109.5 . . ?
H16A C16 H16B 109.5 . . ?
Si3 C16 H16C 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
Si3 C17 H17A 109.5 . . ?
Si3 C17 H17B 109.5 . . ?
H17A C17 H17B 109.5 . . ?
Si3 C17 H17C 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
Si3 C18 H18A 109.5 . . ?
Si3 C18 H18B 109.5 . . ?
H18A C18 H18B 109.5 . . ?
Si3 C18 H18C 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
Si4 C19 H19A 109.5 . . ?
Si4 C19 H19B 109.5 . . ?
H19A C19 H19B 109.5 . . ?
Si4 C19 H19C 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
Si4 C20 H20A 109.5 . . ?
Si4 C20 H20B 109.5 . . ?
H20A C20 H20B 109.5 . . ?
Si4 C20 H20C 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
Si4 C21 H21A 109.5 . . ?
Si4 C21 H21B 109.5 . . ?
H21A C21 H21B 109.5 . . ?
Si4 C21 H21C 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
N5 Si1 N1 C1 89.1(6) . . . . ?
C13 Si1 N1 C1 -150.6(6) . . . . ?
C12 Si1 N1 C1 -35.6(7) . . . . ?
Sr1 Si1 N1 C1 109.0(6) . . . . ?
N5 Si1 N1 C8 -135.3(6) . . . . ?
C13 Si1 N1 C8 -15.0(7) . . . . ?
C12 Si1 N1 C8 100.0(6) . . . . ?
Sr1 Si1 N1 C8 -115.3(6) . . . . ?
N5 Si1 N1 Sr1 -20.0(3) . . . . ?
C13 Si1 N1 Sr1 100.3(3) . . . . ?
C12 Si1 N1 Sr1 -144.7(3) . . . . ?
N1 Si1 N5 Si2 -171.1(5) . . . . ?
C13 Si1 N5 Si2 72.6(6) . . . . ?
C12 Si1 N5 Si2 -51.2(7) . . . . ?
Sr1 Si1 N5 Si2 166.5(7) . . . . ?
N1 Si1 N5 Sr1 22.4(4) . . . . ?
C13 Si1 N5 Sr1 -93.9(4) . . . . ?
C12 Si1 N5 Sr1 142.3(4) . . . . ?
C15 Si2 N5 Si1 130.9(6) . . . . ?
C14 Si2 N5 Si1 -108.4(6) . . . . ?
C15 Si2 N5 Sr1 -66.7(6) . . . . ?
C14 Si2 N5 Sr1 54.0(6) . . . . ?
C18 Si3 N6 Si4 -32.8(6) . . . . ?
C16 Si3 N6 Si4 -152.5(4) . . . . ?
C17 Si3 N6 Si4 88.1(5) . . . . ?
Sr1 Si3 N6 Si4 174.6(6) . . . . ?
C18 Si3 N6 Sr1 152.6(4) . . . . ?
C16 Si3 N6 Sr1 32.9(4) . . . . ?
C17 Si3 N6 Sr1 -86.4(4) . . . . ?
C20 Si4 N6 Si3 -52.8(6) . . . . ?
C21 Si4 N6 Si3 -173.0(5) . . . . ?
C19 Si4 N6 Si3 68.9(6) . . . . ?
Sr1 Si4 N6 Si3 -173.9(7) . . . . ?
C20 Si4 N6 Sr1 121.1(4) . . . . ?
C21 Si4 N6 Sr1 0.9(5) . . . . ?
C19 Si4 N6 Sr1 -117.2(4) . . . . ?
C8 N1 C1 C2 158.7(7) . . . . ?
Si1 N1 C1 C2 -62.0(9) . . . . ?
Sr1 N1 C1 C2 35.0(8) . . . . ?
C3 N2 C2 C1 -72.3(9) . . . . ?
C9 N2 C2 C1 169.3(7) . . . . ?
Sr1 N2 C2 C1 49.8(7) . . . . ?
N1 C1 C2 N2 -62.6(10) . . . . ?
C9 N2 C3 C4 -82.1(9) . . . . ?
C2 N2 C3 C4 161.5(7) . . . . ?
Sr1 N2 C3 C4 42.7(8) . . . . ?
N2 C3 C4 N3 -64.2(9) . . . . ?
C5 N3 C4 C3 -74.5(8) . . . . ?
C10 N3 C4 C3 165.2(6) . . . . ?
Sr1 N3 C4 C3 47.4(7) . . . . ?
C10 N3 C5 C6 -78.1(9) . . . . ?
C4 N3 C5 C6 162.8(7) . . . . ?
Sr1 N3 C5 C6 44.1(9) . . . . ?
N3 C5 C6 N4 -66.6(10) . . . . ?
C7 N4 C6 C5 -69.7(9) . . . . ?
C11 N4 C6 C5 172.3(7) . . . . ?
Sr1 N4 C6 C5 48.1(7) . . . . ?
C11 N4 C7 C8 -82.6(9) . . . . ?
C6 N4 C7 C8 160.3(8) . . . . ?
Sr1 N4 C7 C8 44.8(9) . . . . ?
C1 N1 C8 C7 -77.6(9) . . . . ?
Si1 N1 C8 C7 144.4(6) . . . . ?
Sr1 N1 C8 C7 43.2(8) . . . . ?
N4 C7 C8 N1 -62.3(10) . . . . ?

_refine_diff_density_max         0.707
_refine_diff_density_min         -1.104
_refine_diff_density_rms         0.099

_shelxl_version_number           2013-4

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

data_3
_database_code_depnum_ccdc_archive 'CCDC 1537654'
_audit_update_record             
;
2017-03-13 deposited with the CCDC.
2017-06-02 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2013
_chemical_name_systematic        
;
 ?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C19 H52 N6 Si4 Sr'
_chemical_formula_sum            'C19 H52 N6 Si4 Sr'
_chemical_formula_weight         564.64

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'
Sr Sr -1.5307 3.2498 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   9.2006(18)
_cell_length_b                   9.5438(9)
_cell_length_c                   19.2910(18)
_cell_angle_alpha                81.0103(14)
_cell_angle_beta                 87.2999(15)
_cell_angle_gamma                68.1159(14)
_cell_volume                     1552.4(4)
_cell_formula_units_Z            2
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    4669
_cell_measurement_theta_min      2.33
_cell_measurement_theta_max      26.27

_exptl_crystal_description       block
_exptl_crystal_colour            colourless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.208
_exptl_crystal_F_000             604
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.340
_exptl_crystal_size_mid          0.330
_exptl_crystal_size_min          0.170
_exptl_absorpt_coefficient_mu    1.908
_shelx_estimated_absorpt_T_min   0.563
_shelx_estimated_absorpt_T_max   0.737
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.5283
_exptl_absorpt_correction_T_max  0.7454
_exptl_absorpt_process_details   'Sadabs Bruker'

_exptl_special_details           
;
 ?
;

_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         microsource
_diffrn_radiation_monochromator  'multilayer optics'
_diffrn_measurement_device_type  'Bruker APEX-I CCD'
_diffrn_measurement_method       'ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            19280
_diffrn_reflns_av_unetI/netI     0.0527
_diffrn_reflns_av_R_equivalents  0.0460
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_theta_min         2.138
_diffrn_reflns_theta_max         26.650
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measured_fraction_theta_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_point_group_measured_fraction_full 1.000
_reflns_number_total             6526
_reflns_number_gt                5726
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;

_computing_data_collection       'Bruker SMART (2001)'
_computing_cell_refinement       'Bruker SMART (2001)'
_computing_data_reduction        'Bruker SAINT+ (1999)'
_computing_structure_solution    'SIR-92 (Altomare 1992)'
_computing_structure_refinement  'SHELXL-2013 (Sheldrick, 2013)'
_computing_molecular_graphics    'ORTEP-III (Farrugia, 1999)'

_refine_special_details          
;
 ?
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0390P)²+0.5946P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   mixed
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         6526
_refine_ls_number_parameters     291
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0392
_refine_ls_R_factor_gt           0.0322
_refine_ls_wR_factor_ref         0.0796
_refine_ls_wR_factor_gt          0.0764
_refine_ls_goodness_of_fit_ref   0.943
_refine_ls_restrained_S_all      0.943
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Sr1 Sr 0.90361(2) 0.22317(2) 0.75016(2) 0.01379(7) Uani 1 1 d . . . . .
Si1 Si 0.79071(7) 0.30293(7) 0.58454(3) 0.01481(13) Uani 1 1 d . . . . .
Si2 Si 0.66648(7) 0.59718(7) 0.65266(3) 0.01625(13) Uani 1 1 d . . . . .
H2 H 0.705(3) 0.630(3) 0.7187(12) 0.020 Uiso 1 1 d . U . . .
Si3 Si 0.59506(8) 0.27205(7) 0.86000(3) 0.02075(14) Uani 1 1 d . . . . .
H3 H 0.590(3) 0.218(3) 0.7939(13) 0.025 Uiso 1 1 d . U . . .
Si4 Si 0.81690(8) 0.42207(8) 0.89956(3) 0.02501(15) Uani 1 1 d . . . . .
H4 H 0.952(3) 0.442(3) 0.8627(13) 0.030 Uiso 1 1 d . U . . .
N1 N 0.9482(2) 0.1294(2) 0.61702(9) 0.0148(4) Uani 1 1 d . . . . .
N2 N 0.9468(2) -0.0798(2) 0.75275(10) 0.0174(4) Uani 1 1 d . . . . .
N3 N 1.1730(2) 0.0271(2) 0.82271(10) 0.0188(4) Uani 1 1 d . . . . .
N4 N 1.1696(2) 0.2370(2) 0.68979(10) 0.0181(4) Uani 1 1 d . . . . .
N5 N 0.7692(2) 0.4152(2) 0.64541(10) 0.0185(4) Uani 1 1 d . . . . .
N6 N 0.7572(2) 0.3115(2) 0.85796(10) 0.0229(4) Uani 1 1 d . . . . .
C1 C 0.9296(3) -0.0180(2) 0.62101(12) 0.0185(5) Uani 1 1 d . . . . .
H1A H 0.9734 -0.0630 0.5782 0.022 Uiso 1 1 calc R U . . .
H1B H 0.8165 -0.0004 0.6220 0.022 Uiso 1 1 calc R U . . .
C2 C 1.0099(3) -0.1320(2) 0.68535(12) 0.0190(5) Uani 1 1 d . . . . .
H2A H 0.9979 -0.2301 0.6832 0.023 Uiso 1 1 calc R U . . .
H2B H 1.1233 -0.1509 0.6839 0.023 Uiso 1 1 calc R U . . .
C3 C 1.0579(3) -0.1690(3) 0.81130(12) 0.0216(5) Uani 1 1 d . . . . .
H3A H 1.0891 -0.2792 0.8086 0.026 Uiso 1 1 calc R U . . .
H3B H 1.0033 -0.1498 0.8563 0.026 Uiso 1 1 calc R U . . .
C4 C 1.2037(3) -0.1317(2) 0.81115(13) 0.0219(5) Uani 1 1 d . . . . .
H4A H 1.2764 -0.2034 0.8483 0.026 Uiso 1 1 calc R U . . .
H4B H 1.2565 -0.1478 0.7655 0.026 Uiso 1 1 calc R U . . .
C5 C 1.3065(3) 0.0720(3) 0.79881(12) 0.0239(5) Uani 1 1 d . . . . .
H5A H 1.4052 -0.0126 0.8155 0.029 Uiso 1 1 calc R U . . .
H5B H 1.2998 0.1618 0.8203 0.029 Uiso 1 1 calc R U . . .
C6 C 1.3123(3) 0.1108(3) 0.71984(12) 0.0232(5) Uani 1 1 d . . . . .
H6A H 1.4043 0.1395 0.7076 0.028 Uiso 1 1 calc R U . . .
H6B H 1.3265 0.0189 0.6984 0.028 Uiso 1 1 calc R U . . .
C7 C 1.1583(3) 0.2406(3) 0.61340(11) 0.0185(5) Uani 1 1 d . . . . .
H7A H 1.2617 0.2289 0.5924 0.022 Uiso 1 1 calc R U . . .
H7B H 1.0826 0.3418 0.5928 0.022 Uiso 1 1 calc R U . . .
C8 C 1.1073(2) 0.1171(3) 0.59354(12) 0.0181(5) Uani 1 1 d . . . . .
H8A H 1.1113 0.1221 0.5419 0.022 Uiso 1 1 calc R U . . .
H8B H 1.1831 0.0159 0.6141 0.022 Uiso 1 1 calc R U . . .
C9 C 0.7992(3) -0.1046(3) 0.76678(13) 0.0253(5) Uani 1 1 d . . . . .
H9A H 0.8185 -0.2134 0.7692 0.038 Uiso 1 1 calc R U . . .
H9B H 0.7235 -0.0457 0.7290 0.038 Uiso 1 1 calc R U . . .
H9C H 0.7570 -0.0713 0.8116 0.038 Uiso 1 1 calc R U . . .
C10 C 1.1484(3) 0.0379(3) 0.89807(12) 0.0270(5) Uani 1 1 d . . . . .
H10A H 1.0564 0.0136 0.9136 0.041 Uiso 1 1 calc R U . . .
H10B H 1.1315 0.1419 0.9058 0.041 Uiso 1 1 calc R U . . .
H10C H 1.2409 -0.0346 0.9248 0.041 Uiso 1 1 calc R U . . .
C11 C 1.1720(3) 0.3852(3) 0.70239(13) 0.0267(5) Uani 1 1 d . . . . .
H11A H 1.1812 0.3840 0.7529 0.040 Uiso 1 1 calc R U . . .
H11B H 1.0748 0.4676 0.6842 0.040 Uiso 1 1 calc R U . . .
H11C H 1.2616 0.4022 0.6784 0.040 Uiso 1 1 calc R U . . .
C12 C 0.6148(3) 0.2536(3) 0.57251(14) 0.0269(5) Uani 1 1 d . . . . .
H12A H 0.5847 0.2112 0.6180 0.040 Uiso 1 1 calc R U . . .
H12B H 0.6403 0.1780 0.5404 0.040 Uiso 1 1 calc R U . . .
H12C H 0.5276 0.3460 0.5529 0.040 Uiso 1 1 calc R U . . .
C13 C 0.8385(3) 0.3781(3) 0.49366(12) 0.0211(5) Uani 1 1 d . . . . .
H13A H 0.7510 0.4712 0.4751 0.032 Uiso 1 1 calc R U . . .
H13B H 0.8563 0.3009 0.4629 0.032 Uiso 1 1 calc R U . . .
H13C H 0.9332 0.4014 0.4957 0.032 Uiso 1 1 calc R U . . .
C14 C 0.7066(3) 0.7408(3) 0.58402(14) 0.0289(6) Uani 1 1 d . . . . .
H14A H 0.8183 0.7240 0.5849 0.043 Uiso 1 1 calc R U . . .
H14B H 0.6449 0.8441 0.5938 0.043 Uiso 1 1 calc R U . . .
H14C H 0.6775 0.7292 0.5376 0.043 Uiso 1 1 calc R U . . .
C15 C 0.4489(3) 0.6526(3) 0.65140(15) 0.0332(6) Uani 1 1 d . . . . .
H15A H 0.4161 0.6361 0.6068 0.050 Uiso 1 1 calc R U . . .
H15B H 0.3982 0.7607 0.6566 0.050 Uiso 1 1 calc R U . . .
H15C H 0.4184 0.5902 0.6902 0.050 Uiso 1 1 calc R U . . .
C16 C 0.4045(3) 0.4371(3) 0.86226(15) 0.0364(6) Uani 1 1 d . . . . .
H16A H 0.3990 0.4798 0.9058 0.055 Uiso 1 1 calc R U . . .
H16B H 0.3176 0.4019 0.8603 0.055 Uiso 1 1 calc R U . . .
H16C H 0.3974 0.5158 0.8219 0.055 Uiso 1 1 calc R U . . .
C17 C 0.5882(3) 0.1184(3) 0.93234(13) 0.0334(6) Uani 1 1 d . . . . .
H17A H 0.6875 0.0306 0.9343 0.050 Uiso 1 1 calc R U . . .
H17B H 0.5020 0.0866 0.9233 0.050 Uiso 1 1 calc R U . . .
H17C H 0.5716 0.1577 0.9772 0.050 Uiso 1 1 calc R U . . .
C18 C 0.6728(3) 0.6224(3) 0.90039(15) 0.0372(7) Uani 1 1 d . . . . .
H18A H 0.6323 0.6680 0.8527 0.056 Uiso 1 1 calc R U . . .
H18B H 0.7250 0.6833 0.9175 0.056 Uiso 1 1 calc R U . . .
H18C H 0.5859 0.6204 0.9314 0.056 Uiso 1 1 calc R U . . .
C19 C 0.8805(4) 0.3435(3) 0.99351(14) 0.0384(7) Uani 1 1 d . . . . .
H19A H 0.7918 0.3326 1.0208 0.058 Uiso 1 1 calc R U . . .
H19B H 0.9172 0.4135 1.0130 0.058 Uiso 1 1 calc R U . . .
H19C H 0.9657 0.2435 0.9956 0.058 Uiso 1 1 calc R U . . .


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

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Sr1 N6 2.5073(19) . ?
Sr1 N5 2.5218(18) . ?
Sr1 N4 2.6991(19) . ?
Sr1 N2 2.7609(18) . ?
Sr1 N3 2.7667(18) . ?
Sr1 N1 2.8127(18) . ?
Sr1 Si1 3.2908(7) . ?
Sr1 Si3 3.3943(8) . ?
Sr1 Si4 3.5931(7) . ?
Sr1 Si2 3.6772(7) . ?
Si1 N5 1.6671(19) . ?
Si1 N1 1.7907(18) . ?
Si1 C12 1.879(2) . ?
Si1 C13 1.885(2) . ?
Si2 N5 1.6642(18) . ?
Si2 C15 1.870(3) . ?
Si2 C14 1.880(2) . ?
Si2 H2 1.45(2) . ?
Si3 N6 1.667(2) . ?
Si3 C16 1.874(3) . ?
Si3 C17 1.877(3) . ?
Si3 H3 1.45(2) . ?
Si4 N6 1.672(2) . ?
Si4 C18 1.879(3) . ?
Si4 C19 1.881(3) . ?
Si4 H4 1.46(3) . ?
N1 C1 1.470(3) . ?
N1 C8 1.480(3) . ?
N2 C9 1.469(3) . ?
N2 C2 1.480(3) . ?
N2 C3 1.485(3) . ?
N3 C10 1.474(3) . ?
N3 C5 1.478(3) . ?
N3 C4 1.485(3) . ?
N4 C7 1.476(3) . ?
N4 C6 1.479(3) . ?
N4 C11 1.481(3) . ?
C1 C2 1.528(3) . ?
C1 H1A 0.9900 . ?
C1 H1B 0.9900 . ?
C2 H2A 0.9900 . ?
C2 H2B 0.9900 . ?
C3 C4 1.512(3) . ?
C3 H3A 0.9900 . ?
C3 H3B 0.9900 . ?
C4 H4A 0.9900 . ?
C4 H4B 0.9900 . ?
C5 C6 1.514(3) . ?
C5 H5A 0.9900 . ?
C5 H5B 0.9900 . ?
C6 H6A 0.9900 . ?
C6 H6B 0.9900 . ?
C7 C8 1.526(3) . ?
C7 H7A 0.9900 . ?
C7 H7B 0.9900 . ?
C8 H8A 0.9900 . ?
C8 H8B 0.9900 . ?
C9 H9A 0.9800 . ?
C9 H9B 0.9800 . ?
C9 H9C 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 . ?
C12 H12A 0.9800 . ?
C12 H12B 0.9800 . ?
C12 H12C 0.9800 . ?
C13 H13A 0.9800 . ?
C13 H13B 0.9800 . ?
C13 H13C 0.9800 . ?
C14 H14A 0.9800 . ?
C14 H14B 0.9800 . ?
C14 H14C 0.9800 . ?
C15 H15A 0.9800 . ?
C15 H15B 0.9800 . ?
C15 H15C 0.9800 . ?
C16 H16A 0.9800 . ?
C16 H16B 0.9800 . ?
C16 H16C 0.9800 . ?
C17 H17A 0.9800 . ?
C17 H17B 0.9800 . ?
C17 H17C 0.9800 . ?
C18 H18A 0.9800 . ?
C18 H18B 0.9800 . ?
C18 H18C 0.9800 . ?
C19 H19A 0.9800 . ?
C19 H19B 0.9800 . ?
C19 H19C 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
N6 Sr1 N5 108.10(6) . . ?
N6 Sr1 N4 133.99(6) . . ?
N5 Sr1 N4 84.60(6) . . ?
N6 Sr1 N2 108.44(6) . . ?
N5 Sr1 N2 119.24(6) . . ?
N4 Sr1 N2 102.20(5) . . ?
N6 Sr1 N3 94.60(6) . . ?
N5 Sr1 N3 150.84(6) . . ?
N4 Sr1 N3 66.34(6) . . ?
N2 Sr1 N3 67.66(5) . . ?
N6 Sr1 N1 157.08(6) . . ?
N5 Sr1 N1 61.42(5) . . ?
N4 Sr1 N1 67.78(5) . . ?
N2 Sr1 N1 66.03(5) . . ?
N3 Sr1 N1 102.87(5) . . ?
N6 Sr1 Si1 130.74(5) . . ?
N5 Sr1 Si1 29.75(4) . . ?
N4 Sr1 Si1 80.89(4) . . ?
N2 Sr1 Si1 90.97(4) . . ?
N3 Sr1 Si1 134.52(4) . . ?
N1 Sr1 Si1 32.95(4) . . ?
N6 Sr1 Si3 27.99(5) . . ?
N5 Sr1 Si3 99.85(4) . . ?
N4 Sr1 Si3 161.89(4) . . ?
N2 Sr1 Si3 91.00(4) . . ?
N3 Sr1 Si3 108.56(4) . . ?
N1 Sr1 Si3 129.75(4) . . ?
Si1 Sr1 Si3 111.585(18) . . ?
N6 Sr1 Si4 24.47(5) . . ?
N5 Sr1 Si4 106.97(4) . . ?
N4 Sr1 Si4 109.74(4) . . ?
N2 Sr1 Si4 125.47(4) . . ?
N3 Sr1 Si4 86.14(4) . . ?
N1 Sr1 Si4 167.98(4) . . ?
Si1 Sr1 Si4 136.112(17) . . ?
Si3 Sr1 Si4 52.150(16) . . ?
N6 Sr1 Si2 87.66(5) . . ?
N5 Sr1 Si2 22.68(4) . . ?
N4 Sr1 Si2 91.81(4) . . ?
N2 Sr1 Si2 138.17(4) . . ?
N3 Sr1 Si2 151.42(4) . . ?
N1 Sr1 Si2 84.04(4) . . ?
Si1 Sr1 Si2 52.264(14) . . ?
Si3 Sr1 Si2 86.343(17) . . ?
Si4 Sr1 Si2 84.289(16) . . ?
N5 Si1 N1 104.53(9) . . ?
N5 Si1 C12 114.13(11) . . ?
N1 Si1 C12 107.57(10) . . ?
N5 Si1 C13 115.95(10) . . ?
N1 Si1 C13 109.32(9) . . ?
C12 Si1 C13 105.08(11) . . ?
N5 Si1 Sr1 48.65(6) . . ?
N1 Si1 Sr1 58.69(6) . . ?
C12 Si1 Sr1 111.33(8) . . ?
C13 Si1 Sr1 143.57(8) . . ?
N5 Si2 C15 115.07(11) . . ?
N5 Si2 C14 115.25(11) . . ?
C15 Si2 C14 105.20(12) . . ?
C15 Si2 Sr1 117.91(9) . . ?
C14 Si2 Sr1 135.34(8) . . ?
N5 Si2 H2 109.6(9) . . ?
C15 Si2 H2 106.1(9) . . ?
C14 Si2 H2 104.8(9) . . ?
Sr1 Si2 H2 75.1(9) . . ?
N6 Si3 C16 116.53(12) . . ?
N6 Si3 C17 115.28(11) . . ?
C16 Si3 C17 106.50(13) . . ?
C16 Si3 Sr1 131.04(10) . . ?
C17 Si3 Sr1 122.42(9) . . ?
N6 Si3 H3 105.9(10) . . ?
C16 Si3 H3 104.6(10) . . ?
C17 Si3 H3 107.2(10) . . ?
Sr1 Si3 H3 61.3(10) . . ?
N6 Si4 C18 115.74(12) . . ?
N6 Si4 C19 115.12(12) . . ?
C18 Si4 C19 105.86(13) . . ?
C18 Si4 Sr1 125.40(9) . . ?
C19 Si4 Sr1 128.22(9) . . ?
N6 Si4 H4 108.4(10) . . ?
C18 Si4 H4 104.1(10) . . ?
C19 Si4 H4 106.7(10) . . ?
Sr1 Si4 H4 70.0(10) . . ?
C1 N1 C8 110.82(16) . . ?
C1 N1 Si1 120.08(14) . . ?
C8 N1 Si1 116.52(14) . . ?
C1 N1 Sr1 109.94(12) . . ?
C8 N1 Sr1 108.02(12) . . ?
Si1 N1 Sr1 88.36(7) . . ?
C9 N2 C2 108.89(17) . . ?
C9 N2 C3 108.07(18) . . ?
C2 N2 C3 110.54(17) . . ?
C9 N2 Sr1 111.17(13) . . ?
C2 N2 Sr1 111.04(12) . . ?
C3 N2 Sr1 107.07(12) . . ?
C10 N3 C5 109.12(18) . . ?
C10 N3 C4 109.54(18) . . ?
C5 N3 C4 110.63(18) . . ?
C10 N3 Sr1 108.37(13) . . ?
C5 N3 Sr1 109.90(13) . . ?
C4 N3 Sr1 109.25(12) . . ?
C7 N4 C6 110.98(17) . . ?
C7 N4 C11 108.49(17) . . ?
C6 N4 C11 110.13(18) . . ?
C7 N4 Sr1 108.93(12) . . ?
C6 N4 Sr1 113.19(13) . . ?
C11 N4 Sr1 104.85(13) . . ?
Si2 N5 Si1 135.98(12) . . ?
Si2 N5 Sr1 121.56(9) . . ?
Si1 N5 Sr1 101.60(8) . . ?
Si3 N6 Si4 134.24(12) . . ?
Si3 N6 Sr1 107.09(9) . . ?
Si4 N6 Sr1 117.15(10) . . ?
N1 C1 C2 113.29(18) . . ?
N1 C1 H1A 108.9 . . ?
C2 C1 H1A 108.9 . . ?
N1 C1 H1B 108.9 . . ?
C2 C1 H1B 108.9 . . ?
H1A C1 H1B 107.7 . . ?
N2 C2 C1 113.50(17) . . ?
N2 C2 H2A 108.9 . . ?
C1 C2 H2A 108.9 . . ?
N2 C2 H2B 108.9 . . ?
C1 C2 H2B 108.9 . . ?
H2A C2 H2B 107.7 . . ?
N2 C3 C4 113.90(18) . . ?
N2 C3 H3A 108.8 . . ?
C4 C3 H3A 108.8 . . ?
N2 C3 H3B 108.8 . . ?
C4 C3 H3B 108.8 . . ?
H3A C3 H3B 107.7 . . ?
N3 C4 C3 113.81(18) . . ?
N3 C4 H4A 108.8 . . ?
C3 C4 H4A 108.8 . . ?
N3 C4 H4B 108.8 . . ?
C3 C4 H4B 108.8 . . ?
H4A C4 H4B 107.7 . . ?
N3 C5 C6 113.33(18) . . ?
N3 C5 H5A 108.9 . . ?
C6 C5 H5A 108.9 . . ?
N3 C5 H5B 108.9 . . ?
C6 C5 H5B 108.9 . . ?
H5A C5 H5B 107.7 . . ?
N4 C6 C5 112.98(19) . . ?
N4 C6 H6A 109.0 . . ?
C5 C6 H6A 109.0 . . ?
N4 C6 H6B 109.0 . . ?
C5 C6 H6B 109.0 . . ?
H6A C6 H6B 107.8 . . ?
N4 C7 C8 114.00(18) . . ?
N4 C7 H7A 108.8 . . ?
C8 C7 H7A 108.8 . . ?
N4 C7 H7B 108.8 . . ?
C8 C7 H7B 108.8 . . ?
H7A C7 H7B 107.6 . . ?
N1 C8 C7 114.14(17) . . ?
N1 C8 H8A 108.7 . . ?
C7 C8 H8A 108.7 . . ?
N1 C8 H8B 108.7 . . ?
C7 C8 H8B 108.7 . . ?
H8A C8 H8B 107.6 . . ?
N2 C9 H9A 109.5 . . ?
N2 C9 H9B 109.5 . . ?
H9A C9 H9B 109.5 . . ?
N2 C9 H9C 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
N3 C10 H10A 109.5 . . ?
N3 C10 H10B 109.5 . . ?
H10A C10 H10B 109.5 . . ?
N3 C10 H10C 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
N4 C11 H11A 109.5 . . ?
N4 C11 H11B 109.5 . . ?
H11A C11 H11B 109.5 . . ?
N4 C11 H11C 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
Si1 C12 H12A 109.5 . . ?
Si1 C12 H12B 109.5 . . ?
H12A C12 H12B 109.5 . . ?
Si1 C12 H12C 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
Si1 C13 H13A 109.5 . . ?
Si1 C13 H13B 109.5 . . ?
H13A C13 H13B 109.5 . . ?
Si1 C13 H13C 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
Si2 C14 H14A 109.5 . . ?
Si2 C14 H14B 109.5 . . ?
H14A C14 H14B 109.5 . . ?
Si2 C14 H14C 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
Si2 C15 H15A 109.5 . . ?
Si2 C15 H15B 109.5 . . ?
H15A C15 H15B 109.5 . . ?
Si2 C15 H15C 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
Si3 C16 H16A 109.5 . . ?
Si3 C16 H16B 109.5 . . ?
H16A C16 H16B 109.5 . . ?
Si3 C16 H16C 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
Si3 C17 H17A 109.5 . . ?
Si3 C17 H17B 109.5 . . ?
H17A C17 H17B 109.5 . . ?
Si3 C17 H17C 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
Si4 C18 H18A 109.5 . . ?
Si4 C18 H18B 109.5 . . ?
H18A C18 H18B 109.5 . . ?
Si4 C18 H18C 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
Si4 C19 H19A 109.5 . . ?
Si4 C19 H19B 109.5 . . ?
H19A C19 H19B 109.5 . . ?
Si4 C19 H19C 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
N5 Si1 N1 C1 129.15(16) . . . . ?
C12 Si1 N1 C1 7.48(19) . . . . ?
C13 Si1 N1 C1 -106.11(17) . . . . ?
Sr1 Si1 N1 C1 112.20(16) . . . . ?
N5 Si1 N1 C8 -92.41(16) . . . . ?
C12 Si1 N1 C8 145.91(16) . . . . ?
C13 Si1 N1 C8 32.32(17) . . . . ?
Sr1 Si1 N1 C8 -109.37(15) . . . . ?
N5 Si1 N1 Sr1 16.96(9) . . . . ?
C12 Si1 N1 Sr1 -104.71(9) . . . . ?
C13 Si1 N1 Sr1 141.69(8) . . . . ?
C15 Si2 N5 Si1 63.6(2) . . . . ?
C14 Si2 N5 Si1 -59.1(2) . . . . ?
Sr1 Si2 N5 Si1 167.2(3) . . . . ?
C15 Si2 N5 Sr1 -103.58(14) . . . . ?
C14 Si2 N5 Sr1 133.70(12) . . . . ?
N1 Si1 N5 Si2 171.73(16) . . . . ?
C12 Si1 N5 Si2 -71.0(2) . . . . ?
C13 Si1 N5 Si2 51.3(2) . . . . ?
Sr1 Si1 N5 Si2 -168.9(2) . . . . ?
N1 Si1 N5 Sr1 -19.39(10) . . . . ?
C12 Si1 N5 Sr1 97.86(11) . . . . ?
C13 Si1 N5 Sr1 -139.79(9) . . . . ?
C16 Si3 N6 Si4 42.4(2) . . . . ?
C17 Si3 N6 Si4 -83.6(2) . . . . ?
Sr1 Si3 N6 Si4 165.0(2) . . . . ?
C16 Si3 N6 Sr1 -122.59(12) . . . . ?
C17 Si3 N6 Sr1 111.47(12) . . . . ?
C18 Si4 N6 Si3 -48.5(2) . . . . ?
C19 Si4 N6 Si3 75.6(2) . . . . ?
Sr1 Si4 N6 Si3 -163.8(2) . . . . ?
C18 Si4 N6 Sr1 115.29(13) . . . . ?
C19 Si4 N6 Sr1 -120.57(13) . . . . ?
C8 N1 C1 C2 76.2(2) . . . . ?
Si1 N1 C1 C2 -143.25(16) . . . . ?
Sr1 N1 C1 C2 -43.2(2) . . . . ?
C9 N2 C2 C1 78.9(2) . . . . ?
C3 N2 C2 C1 -162.57(18) . . . . ?
Sr1 N2 C2 C1 -43.9(2) . . . . ?
N1 C1 C2 N2 61.9(2) . . . . ?
C9 N2 C3 C4 -169.09(19) . . . . ?
C2 N2 C3 C4 71.8(2) . . . . ?
Sr1 N2 C3 C4 -49.2(2) . . . . ?
C10 N3 C4 C3 78.7(2) . . . . ?
C5 N3 C4 C3 -161.00(19) . . . . ?
Sr1 N3 C4 C3 -39.9(2) . . . . ?
N2 C3 C4 N3 64.7(3) . . . . ?
C10 N3 C5 C6 -162.72(19) . . . . ?
C4 N3 C5 C6 76.7(2) . . . . ?
Sr1 N3 C5 C6 -44.0(2) . . . . ?
C7 N4 C6 C5 -162.96(18) . . . . ?
C11 N4 C6 C5 76.9(2) . . . . ?
Sr1 N4 C6 C5 -40.1(2) . . . . ?
N3 C5 C6 N4 58.8(3) . . . . ?
C6 N4 C7 C8 75.8(2) . . . . ?
C11 N4 C7 C8 -163.11(18) . . . . ?
Sr1 N4 C7 C8 -49.5(2) . . . . ?
C1 N1 C8 C7 -158.29(18) . . . . ?
Si1 N1 C8 C7 59.6(2) . . . . ?
Sr1 N1 C8 C7 -37.8(2) . . . . ?
N4 C7 C8 N1 63.1(2) . . . . ?

_refine_diff_density_max         0.564
_refine_diff_density_min         -0.483
_refine_diff_density_rms         0.068

_shelxl_version_number           2013-4

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

data_2
_database_code_depnum_ccdc_archive 'CCDC 1537653'
_audit_update_record             
;
2017-03-13 deposited with the CCDC.
2017-06-02 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2013
_chemical_name_systematic        
;
 ?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C19 H54 N6 Si4 Sr'
_chemical_formula_sum            'C19 H54 N6 Si4 Sr'
_chemical_formula_weight         566.66

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Si Si 0.0817 0.0704 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Sr Sr -1.5307 3.2498 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

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

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;

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

_cell_length_a                   21.541(2)
_cell_length_b                   10.4100(11)
_cell_length_c                   16.409(5)
_cell_angle_alpha                90
_cell_angle_beta                 121.6531(15)
_cell_angle_gamma                90
_cell_volume                     3132.2(11)
_cell_formula_units_Z            4
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    4596
_cell_measurement_theta_min      2.22
_cell_measurement_theta_max      26.86

_exptl_crystal_description       block
_exptl_crystal_colour            colourless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.202
_exptl_crystal_F_000             1216
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.420
_exptl_crystal_size_mid          0.380
_exptl_crystal_size_min          0.320
_exptl_absorpt_coefficient_mu    1.891
_shelx_estimated_absorpt_T_min   0.504
_shelx_estimated_absorpt_T_max   0.583
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.6535
_exptl_absorpt_correction_T_max  0.7457
_exptl_absorpt_process_details   'Sadabs Bruker'

_exptl_special_details           
;
 ?
;

_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         microsource
_diffrn_radiation_monochromator  'multilayer optics'
_diffrn_measurement_device_type  'Bruker APEX-I CCD'
_diffrn_measurement_method       'ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            21371
_diffrn_reflns_av_unetI/netI     0.0324
_diffrn_reflns_av_R_equivalents  0.0444
_diffrn_reflns_limit_h_min       -28
_diffrn_reflns_limit_h_max       28
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_theta_min         2.221
_diffrn_reflns_theta_max         28.418
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measured_fraction_theta_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_point_group_measured_fraction_full 1.000
_reflns_number_total             3922
_reflns_number_gt                3311
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;

_computing_data_collection       'Bruker SMART (2001)'
_computing_cell_refinement       'Bruker SMART (2001)'
_computing_data_reduction        'Bruker SAINT+ (1999)'
_computing_structure_solution    'SIR-92 (Altomare 1992)'
_computing_structure_refinement  'SHELXL-2013 (Sheldrick, 2013)'
_computing_molecular_graphics    'ORTEP-III (Farrugia, 1999)'

_refine_special_details          
;
 ?
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0358P)²+1.3528P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   mixed
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         3922
_refine_ls_number_parameters     202
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0386
_refine_ls_R_factor_gt           0.0290
_refine_ls_wR_factor_ref         0.0718
_refine_ls_wR_factor_gt          0.0686
_refine_ls_goodness_of_fit_ref   1.033
_refine_ls_restrained_S_all      1.033
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Sr1 Sr 1.0000 0.40012(2) 0.2500 0.01993(7) Uani 1 2 d S T P A .
Si1 Si 0.89114(3) 0.61866(5) 0.09258(4) 0.02322(12) Uani 1 1 d . . . . .
H1 H 0.9499(10) 0.5591(18) 0.0886(14) 0.028 Uiso 1 1 d . U . . .
Si2 Si 0.84859(3) 0.58816(6) 0.24211(4) 0.03253(14) Uani 1 1 d . . . . .
H2 H 0.8789(11) 0.514(2) 0.3273(15) 0.039 Uiso 1 1 d . U . . .
N1 N 1.00485(10) 0.23222(15) 0.12091(13) 0.0333(4) Uani 1 1 d . . . . .
N3 N 0.89230(8) 0.55174(15) 0.18584(11) 0.0248(3) Uani 1 1 d . . . . .
N2A N 0.8898(6) 0.2065(6) 0.1748(7) 0.0233(14) Uani 0.5 1 d . . P A 1
C1A C 0.9363(4) 0.1417(7) 0.0754(5) 0.0319(15) Uani 0.5 1 d . . P A 1
H1A H 0.9248 0.1148 0.0111 0.038 Uiso 0.5 1 calc R U P A 1
H1B H 0.9484 0.0635 0.1153 0.038 Uiso 0.5 1 calc R U P A 1
C2A C 0.8699(3) 0.2033(5) 0.0664(4) 0.0328(12) Uani 0.5 1 d . . P A 1
H2A H 0.8256 0.1513 0.0257 0.039 Uiso 0.5 1 calc R U P A 1
H2B H 0.8623 0.2910 0.0394 0.039 Uiso 0.5 1 calc R U P A 1
C3A C 0.9073(4) 0.1055(5) 0.2474(4) 0.0333(13) Uani 0.5 1 d . . P A 1
H3A H 0.9470 0.0508 0.2530 0.040 Uiso 0.5 1 calc R U P A 1
H3B H 0.8639 0.0505 0.2257 0.040 Uiso 0.5 1 calc R U P A 1
C4A C 0.9309(6) 0.1606(9) 0.3457(7) 0.0347(19) Uani 0.5 1 d . . P A 1
H4A H 0.8919 0.2163 0.3410 0.042 Uiso 0.5 1 calc R U P A 1
H4B H 0.9397 0.0899 0.3909 0.042 Uiso 0.5 1 calc R U P A 1
C6 C 0.8180(2) 0.2604(4) 0.1440(3) 0.0363(9) Uani 0.5 1 d . . P A 1
H6A H 0.7811 0.1923 0.1160 0.055 Uiso 0.5 1 calc R U P A 1
H6B H 0.8061 0.3275 0.0960 0.055 Uiso 0.5 1 calc R U P A 1
H6C H 0.8186 0.2976 0.1992 0.055 Uiso 0.5 1 calc R U P A 1
N2B N 0.8854(6) 0.2468(6) 0.1615(7) 0.0283(14) Uani 0.5 1 d . . P A 2
C1B C 0.9625(4) 0.1207(8) 0.1065(5) 0.0365(16) Uani 0.5 1 d . . P A 2
H1C H 0.9885 0.0646 0.1635 0.044 Uiso 0.5 1 calc R U P A 2
H1D H 0.9564 0.0725 0.0507 0.044 Uiso 0.5 1 calc R U P A 2
C2B C 0.8879(4) 0.1546(5) 0.0892(4) 0.0350(13) Uani 0.5 1 d . . P A 2
H2C H 0.8634 0.0736 0.0881 0.042 Uiso 0.5 1 calc R U P A 2
H2D H 0.8588 0.1934 0.0247 0.042 Uiso 0.5 1 calc R U P A 2
C3B C 0.8806(4) 0.1447(6) 0.2185(4) 0.0375(13) Uani 0.5 1 d . . P A 2
H3C H 0.9074 0.0681 0.2174 0.045 Uiso 0.5 1 calc R U P A 2
H3D H 0.8289 0.1202 0.1910 0.045 Uiso 0.5 1 calc R U P A 2
C4B C 0.9129(6) 0.1898(10) 0.3211(7) 0.038(2) Uani 0.5 1 d . . P A 2
H4C H 0.9069 0.1196 0.3570 0.045 Uiso 0.5 1 calc R U P A 2
H4D H 0.8833 0.2632 0.3201 0.045 Uiso 0.5 1 calc R U P A 2
H6 H 0.856(2) 0.315(5) 0.150(3) 0.027(11) Uiso 0.5 1 d . . P B 2
C5 C 0.99201(12) 0.30527(19) 0.03665(14) 0.0350(5) Uani 1 1 d . . . . .
H5A H 1.0281 0.3744 0.0571 0.053 Uiso 1 1 calc R U . . .
H5B H 0.9429 0.3423 0.0040 0.053 Uiso 1 1 calc R U . . .
H5C H 0.9965 0.2478 -0.0073 0.053 Uiso 1 1 calc R U . . .
C7 C 0.91008(12) 0.79546(18) 0.10113(15) 0.0349(4) Uani 1 1 d . . . . .
H7A H 0.8723 0.8419 0.1054 0.052 Uiso 1 1 calc R U . . .
H7B H 0.9099 0.8239 0.0441 0.052 Uiso 1 1 calc R U . . .
H7C H 0.9579 0.8131 0.1583 0.052 Uiso 1 1 calc R U . . .
C8 C 0.80728(12) 0.5891(2) -0.02773(14) 0.0412(5) Uani 1 1 d . . . . .
H8A H 0.7970 0.4968 -0.0364 0.062 Uiso 1 1 calc R U . . .
H8B H 0.8151 0.6209 -0.0779 0.062 Uiso 1 1 calc R U . . .
H8C H 0.7658 0.6343 -0.0318 0.062 Uiso 1 1 calc R U . . .
C9 C 0.85569(16) 0.7600(2) 0.28101(17) 0.0546(7) Uani 1 1 d . . . . .
H9A H 0.9069 0.7871 0.3148 0.082 Uiso 1 1 calc R U . . .
H9B H 0.8370 0.7679 0.3238 0.082 Uiso 1 1 calc R U . . .
H9C H 0.8269 0.8146 0.2247 0.082 Uiso 1 1 calc R U . . .
C10 C 0.74840(13) 0.5518(4) 0.1732(2) 0.0689(9) Uani 1 1 d . . . . .
H10A H 0.7238 0.6059 0.1159 0.103 Uiso 1 1 calc R U . . .
H10B H 0.7282 0.5692 0.2135 0.103 Uiso 1 1 calc R U . . .
H10C H 0.7408 0.4611 0.1542 0.103 Uiso 1 1 calc R U . . .


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

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Sr1 N3 2.5333(15) 2_755 ?
Sr1 N3 2.5334(15) . ?
Sr1 N2B 2.643(10) . ?
Sr1 N2B 2.643(10) 2_755 ?
Sr1 N1 2.7902(17) . ?
Sr1 N1 2.7902(17) 2_755 ?
Sr1 N2A 2.854(8) 2_755 ?
Sr1 N2A 2.855(8) . ?
Sr1 Si1 3.3150(6) 2_755 ?
Sr1 Si1 3.3150(6) . ?
Sr1 Si2 3.7473(6) 2_755 ?
Sr1 Si2 3.7473(6) . ?
Sr1 H1 2.814(19) . ?
Sr1 H6 2.79(4) . ?
Si1 N3 1.6696(16) . ?
Si1 C8 1.874(2) . ?
Si1 C7 1.874(2) . ?
Si1 H1 1.442(19) . ?
Si2 N3 1.6719(16) . ?
Si2 C10 1.876(3) . ?
Si2 C9 1.878(3) . ?
Si2 H2 1.42(2) . ?
N1 C4A 1.406(13) 2_755 ?
N1 C1B 1.417(9) . ?
N1 C5 1.471(2) . ?
N1 C1A 1.571(8) . ?
N1 C4B 1.572(11) 2_755 ?
N2A C6 1.463(11) . ?
N2A C3A 1.483(7) . ?
N2A C2A 1.596(11) . ?
C1A C2A 1.503(9) . ?
C1A H1A 0.9900 . ?
C1A H1B 0.9900 . ?
C2A H2A 0.9900 . ?
C2A H2B 0.9900 . ?
C3A C4A 1.525(13) . ?
C3A H3A 0.9900 . ?
C3A H3B 0.9900 . ?
C4A N1 1.406(13) 2_755 ?
C4A H4A 0.9900 . ?
C4A H4B 0.9900 . ?
C6 H6A 0.9800 . ?
C6 H6B 0.9800 . ?
C6 H6C 0.9800 . ?
N2B C3B 1.455(8) . ?
N2B C2B 1.549(12) . ?
N2B H6 0.90(5) . ?
C1B C2B 1.520(10) . ?
C1B H1C 0.9900 . ?
C1B H1D 0.9900 . ?
C2B H2C 0.9900 . ?
C2B H2D 0.9900 . ?
C3B C4B 1.519(13) . ?
C3B H3C 0.9900 . ?
C3B H3D 0.9900 . ?
C4B N1 1.572(11) 2_755 ?
C4B H4C 0.9900 . ?
C4B H4D 0.9900 . ?
C5 H5A 0.9800 . ?
C5 H5B 0.9800 . ?
C5 H5C 0.9800 . ?
C7 H7A 0.9800 . ?
C7 H7B 0.9800 . ?
C7 H7C 0.9800 . ?
C8 H8A 0.9800 . ?
C8 H8B 0.9800 . ?
C8 H8C 0.9800 . ?
C9 H9A 0.9800 . ?
C9 H9B 0.9800 . ?
C9 H9C 0.9800 . ?
C10 H10A 0.9800 . ?
C10 H10B 0.9800 . ?
C10 H10C 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
N3 Sr1 N3 102.93(7) 2_755 . ?
N3 Sr1 N2B 172.7(2) 2_755 . ?
N3 Sr1 N2B 76.15(17) . . ?
N2B Sr1 N2B 105.7(3) . 2_755 ?
N3 Sr1 N1 108.35(5) 2_755 . ?
N3 Sr1 N1 117.76(5) . . ?
N2B Sr1 N1 66.5(2) . . ?
N2B Sr1 N1 69.1(2) 2_755 . ?
N1 Sr1 N1 102.43(7) . 2_755 ?
N3 Sr1 N2A 83.55(19) 2_755 2_755 ?
N3 Sr1 N2A 172.8(2) . 2_755 ?
N1 Sr1 N2A 62.10(17) . 2_755 ?
N1 Sr1 N2A 65.4(2) 2_755 2_755 ?
N3 Sr1 N2A 172.8(2) 2_755 . ?
N3 Sr1 N2A 83.55(19) . . ?
N2A Sr1 N2A 90.2(4) 2_755 . ?
N3 Sr1 Si1 29.49(3) 2_755 2_755 ?
N3 Sr1 Si1 90.88(4) . 2_755 ?
N2B Sr1 Si1 156.5(3) . 2_755 ?
N2B Sr1 Si1 84.94(15) 2_755 2_755 ?
N1 Sr1 Si1 136.76(4) . 2_755 ?
N1 Sr1 Si1 97.54(4) 2_755 2_755 ?
N2A Sr1 Si1 93.43(15) 2_755 2_755 ?
N2A Sr1 Si1 155.4(2) . 2_755 ?
Si1 Sr1 Si1 93.33(2) 2_755 . ?
N3 Sr1 Si2 21.51(3) 2_755 2_755 ?
N3 Sr1 Si2 106.23(4) . 2_755 ?
N2B Sr1 Si2 151.6(3) . 2_755 ?
N2B Sr1 Si2 75.6(2) 2_755 2_755 ?
N1 Sr1 Si2 88.56(3) . 2_755 ?
N1 Sr1 Si2 132.82(4) 2_755 2_755 ?
N2A Sr1 Si2 80.9(2) 2_755 2_755 ?
N2A Sr1 Si2 153.5(2) . 2_755 ?
Si1 Sr1 Si2 50.780(17) 2_755 2_755 ?
Si1 Sr1 Si2 85.146(16) . 2_755 ?
Si1 Sr1 Si2 85.145(16) 2_755 . ?
Si1 Sr1 Si2 50.779(17) . . ?
Si2 Sr1 Si2 117.02(2) 2_755 . ?
N3 Sr1 H1 80.8(4) 2_755 . ?
N2B Sr1 H1 93.0(4) . . ?
N2B Sr1 H1 131.2(5) 2_755 . ?
N1 Sr1 H1 78.6(4) . . ?
N1 Sr1 H1 159.1(4) 2_755 . ?
N2A Sr1 H1 130.0(4) 2_755 . ?
N2A Sr1 H1 100.8(4) . . ?
Si1 Sr1 H1 95.4(4) 2_755 . ?
Si2 Sr1 H1 67.8(4) 2_755 . ?
Si2 Sr1 H1 76.3(4) . . ?
N3 Sr1 H6 159.6(10) 2_755 . ?
N2B Sr1 H6 18.9(10) . . ?
N2B Sr1 H6 124.1(10) 2_755 . ?
N1 Sr1 H6 80.0(9) . . ?
N1 Sr1 H6 76.9(9) 2_755 . ?
Si1 Sr1 H6 142.3(9) 2_755 . ?
Si1 Sr1 H6 69.3(10) . . ?
Si2 Sr1 H6 150.1(9) 2_755 . ?
Si2 Sr1 H6 57.7(10) . . ?
H1 Sr1 H6 82.8(10) . . ?
N3 Si1 C8 116.08(9) . . ?
N3 Si1 C7 116.30(9) . . ?
C8 Si1 C7 106.95(10) . . ?
C8 Si1 Sr1 127.22(7) . . ?
C7 Si1 Sr1 125.33(7) . . ?
N3 Si1 H1 105.7(8) . . ?
C8 Si1 H1 105.4(8) . . ?
C7 Si1 H1 105.3(8) . . ?
N3 Si2 C10 115.12(11) . . ?
N3 Si2 C9 115.76(10) . . ?
C10 Si2 C9 105.07(14) . . ?
C10 Si2 Sr1 128.35(11) . . ?
C9 Si2 Sr1 124.86(9) . . ?
N3 Si2 H2 108.6(8) . . ?
C10 Si2 H2 105.9(8) . . ?
C9 Si2 H2 105.5(9) . . ?
Sr1 Si2 H2 75.0(8) . . ?
C4A N1 C5 107.6(5) 2_755 . ?
C1B N1 C5 118.6(3) . . ?
C4A N1 C1A 110.8(4) 2_755 . ?
C5 N1 C1A 101.4(3) . . ?
C1B N1 C4B 107.0(5) . 2_755 ?
C5 N1 C4B 108.1(5) . 2_755 ?
C4A N1 Sr1 117.3(3) 2_755 . ?
C1B N1 Sr1 111.3(4) . . ?
C5 N1 Sr1 109.04(11) . . ?
C1A N1 Sr1 109.6(3) . . ?
C4B N1 Sr1 101.3(3) 2_755 . ?
Si1 N3 Si2 132.04(10) . . ?
Si1 N3 Sr1 102.17(7) . . ?
Si2 N3 Sr1 124.75(8) . . ?
C6 N2A C3A 109.1(7) . . ?
C6 N2A C2A 90.3(6) . . ?
C3A N2A C2A 133.4(6) . . ?
C6 N2A Sr1 111.5(4) . . ?
C3A N2A Sr1 110.5(5) . . ?
C2A N2A Sr1 99.9(4) . . ?
C2A C1A N1 113.6(5) . . ?
C2A C1A H1A 108.9 . . ?
N1 C1A H1A 108.9 . . ?
C2A C1A H1B 108.9 . . ?
N1 C1A H1B 108.9 . . ?
H1A C1A H1B 107.7 . . ?
C1A C2A N2A 102.3(6) . . ?
C1A C2A H2A 111.3 . . ?
N2A C2A H2A 111.3 . . ?
C1A C2A H2B 111.3 . . ?
N2A C2A H2B 111.3 . . ?
H2A C2A H2B 109.2 . . ?
N2A C3A C4A 112.8(6) . . ?
N2A C3A H3A 109.0 . . ?
C4A C3A H3A 109.0 . . ?
N2A C3A H3B 109.0 . . ?
C4A C3A H3B 109.0 . . ?
H3A C3A H3B 107.8 . . ?
N1 C4A C3A 108.9(8) 2_755 . ?
N1 C4A H4A 109.9 2_755 . ?
C3A C4A H4A 109.9 . . ?
N1 C4A H4B 109.9 2_755 . ?
C3A C4A H4B 109.9 . . ?
H4A C4A H4B 108.3 . . ?
N2A C6 H6A 109.5 . . ?
N2A C6 H6B 109.5 . . ?
H6A C6 H6B 109.5 . . ?
N2A C6 H6C 109.5 . . ?
H6A C6 H6C 109.5 . . ?
H6B C6 H6C 109.5 . . ?
C3B N2B C2B 94.7(5) . . ?
C3B N2B Sr1 116.7(6) . . ?
C2B N2B Sr1 113.4(6) . . ?
C3B N2B H6 115(3) . . ?
C2B N2B H6 129(3) . . ?
Sr1 N2B H6 89(3) . . ?
N1 C1B C2B 111.5(6) . . ?
N1 C1B H1C 109.3 . . ?
C2B C1B H1C 109.3 . . ?
N1 C1B H1D 109.3 . . ?
C2B C1B H1D 109.3 . . ?
H1C C1B H1D 108.0 . . ?
C1B C2B N2B 117.3(6) . . ?
C1B C2B H2C 108.0 . . ?
N2B C2B H2C 108.0 . . ?
C1B C2B H2D 108.0 . . ?
N2B C2B H2D 108.0 . . ?
H2C C2B H2D 107.2 . . ?
N2B C3B C4B 109.9(7) . . ?
N2B C3B H3C 109.7 . . ?
C4B C3B H3C 109.7 . . ?
N2B C3B H3D 109.7 . . ?
C4B C3B H3D 109.7 . . ?
H3C C3B H3D 108.2 . . ?
C3B C4B N1 118.3(8) . 2_755 ?
C3B C4B H4C 107.7 . . ?
N1 C4B H4C 107.7 2_755 . ?
C3B C4B H4D 107.7 . . ?
N1 C4B H4D 107.7 2_755 . ?
H4C C4B H4D 107.1 . . ?
N1 C5 H5A 109.5 . . ?
N1 C5 H5B 109.5 . . ?
H5A C5 H5B 109.5 . . ?
N1 C5 H5C 109.5 . . ?
H5A C5 H5C 109.5 . . ?
H5B C5 H5C 109.5 . . ?
Si1 C7 H7A 109.5 . . ?
Si1 C7 H7B 109.5 . . ?
H7A C7 H7B 109.5 . . ?
Si1 C7 H7C 109.5 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?
Si1 C8 H8A 109.5 . . ?
Si1 C8 H8B 109.5 . . ?
H8A C8 H8B 109.5 . . ?
Si1 C8 H8C 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
Si2 C9 H9A 109.5 . . ?
Si2 C9 H9B 109.5 . . ?
H9A C9 H9B 109.5 . . ?
Si2 C9 H9C 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
Si2 C10 H10A 109.5 . . ?
Si2 C10 H10B 109.5 . . ?
H10A C10 H10B 109.5 . . ?
Si2 C10 H10C 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C8 Si1 N3 Si2 -73.78(16) . . . . ?
C7 Si1 N3 Si2 53.37(16) . . . . ?
Sr1 Si1 N3 Si2 168.44(17) . . . . ?
C8 Si1 N3 Sr1 117.78(9) . . . . ?
C7 Si1 N3 Sr1 -115.07(9) . . . . ?
C10 Si2 N3 Si1 71.66(18) . . . . ?
C9 Si2 N3 Si1 -51.37(17) . . . . ?
Sr1 Si2 N3 Si1 -166.2(2) . . . . ?
C10 Si2 N3 Sr1 -122.13(14) . . . . ?
C9 Si2 N3 Sr1 114.84(11) . . . . ?
C4A N1 C1A C2A 162.0(6) 2_755 . . . ?
C1B N1 C1A C2A 129(2) . . . . ?
C5 N1 C1A C2A -84.1(5) . . . . ?
C4B N1 C1A C2A 152.8(6) 2_755 . . . ?
Sr1 N1 C1A C2A 31.0(6) . . . . ?
N1 C1A C2A N2A -72.9(6) . . . . ?
C6 N2A C2A C1A -176.9(5) . . . . ?
C3A N2A C2A C1A -59.8(11) . . . . ?
Sr1 N2A C2A C1A 71.1(5) . . . . ?
C6 N2A C3A C4A -76.7(9) . . . . ?
C2A N2A C3A C4A 173.6(9) . . . . ?
Sr1 N2A C3A C4A 46.2(8) . . . . ?
N2A C3A C4A N1 -62.3(8) . . . 2_755 ?
C4A N1 C1B C2B 167.5(6) 2_755 . . . ?
C5 N1 C1B C2B -80.9(6) . . . . ?
C1A N1 C1B C2B -42.8(14) . . . . ?
C4B N1 C1B C2B 156.6(6) 2_755 . . . ?
Sr1 N1 C1B C2B 46.8(6) . . . . ?
N1 C1B C2B N2B -50.5(8) . . . . ?
C3B N2B C2B C1B -96.4(8) . . . . ?
Sr1 N2B C2B C1B 25.4(7) . . . . ?
C2B N2B C3B C4B 152.7(7) . . . . ?
Sr1 N2B C3B C4B 33.4(9) . . . . ?
N2B C3B C4B N1 -59.9(9) . . . 2_755 ?

_refine_diff_density_max         0.339
_refine_diff_density_min         -0.320
_refine_diff_density_rms         0.058

_shelxl_version_number           2013-4

_exptl_crystal_recrystallization_method 
'reactive crystallization from thf and pentane in a ratio of 1 : 9'
_chemical_properties_physical    
', Air-sensitive,Moisture-sensitive,Oxygen-sensitive'
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_1
_database_code_depnum_ccdc_archive 'CCDC 1537652'
_audit_update_record             
;
2017-03-13 deposited with the CCDC.
2017-06-02 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2013
_chemical_name_systematic        
;
 ?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C34 H86 N10 Si4 Sr2'
_chemical_formula_sum            'C34 H86 N10 Si4 Sr2'
_chemical_formula_weight         922.72

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'
Sr Sr -1.5307 3.2498 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

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

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;

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

_cell_length_a                   9.3831(12)
_cell_length_b                   26.657(3)
_cell_length_c                   9.8491(12)
_cell_angle_alpha                90
_cell_angle_beta                 100.519(2)
_cell_angle_gamma                90
_cell_volume                     2422.1(5)
_cell_formula_units_Z            2
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    3054
_cell_measurement_theta_min      2.24
_cell_measurement_theta_max      25.29

_exptl_crystal_description       block
_exptl_crystal_colour            colourless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.265
_exptl_crystal_F_000             984
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.380
_exptl_crystal_size_mid          0.180
_exptl_crystal_size_min          0.170
_exptl_absorpt_coefficient_mu    2.335
_shelx_estimated_absorpt_T_min   0.471
_shelx_estimated_absorpt_T_max   0.692
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.5479
_exptl_absorpt_correction_T_max  0.7457
_exptl_absorpt_process_details   'Sadabs Bruker'

_exptl_special_details           
;
 ?
;

_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         microsource
_diffrn_radiation_monochromator  'multi optical layers'
_diffrn_measurement_device_type  'Bruker APEX CCD'
_diffrn_measurement_method       'ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            25518
_diffrn_reflns_av_unetI/netI     0.0735
_diffrn_reflns_av_R_equivalents  0.0784
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_k_min       -35
_diffrn_reflns_limit_k_max       35
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_theta_min         2.238
_diffrn_reflns_theta_max         28.446
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measured_fraction_theta_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.995
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.995
_diffrn_reflns_point_group_measured_fraction_full 1.000
_reflns_number_total             6076
_reflns_number_gt                4711
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;

_computing_data_collection       'Bruker SMART (2001)'
_computing_cell_refinement       'Bruker SMART (2001)'
_computing_data_reduction        'Bruker SAINT+ (1999)'
_computing_structure_solution    'SIR-92 (Altomare 1992)'
_computing_structure_refinement  'SHELXL-2013 (Sheldrick, 2013)'
_computing_molecular_graphics    'ORTEP-III (Farrugia, 1999)'

_refine_special_details          
;
 ?
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0224P)²+1.2641P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   mixed
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         6076
_refine_ls_number_parameters     315
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0608
_refine_ls_R_factor_gt           0.0403
_refine_ls_wR_factor_ref         0.0898
_refine_ls_wR_factor_gt          0.0827
_refine_ls_goodness_of_fit_ref   1.010
_refine_ls_restrained_S_all      1.010
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Sr1 Sr 0.56514(2) 0.07050(2) 0.46007(2) 0.01229(7) Uani 1 1 d . . . . .
Si1 Si 0.82232(8) 0.14445(3) 0.67197(8) 0.01631(16) Uani 1 1 d . . . . .
Si2 Si 0.53932(8) 0.18934(3) 0.69221(8) 0.01811(17) Uani 1 1 d . . . . .
N1 N 0.4097(3) -0.00319(8) 0.3402(2) 0.0212(5) Uani 1 1 d . . . . .
N2 N 0.3003(3) 0.10273(10) 0.3014(2) 0.0268(6) Uani 1 1 d . . . . .
N3 N 0.5987(3) 0.13105(8) 0.2323(2) 0.0188(5) Uani 1 1 d . . . . .
N4 N 0.7045(3) 0.02305(8) 0.2631(2) 0.0216(5) Uani 1 1 d . . . . .
N6 N 0.6404(2) 0.14441(8) 0.6348(2) 0.0165(5) Uani 1 1 d . . . . .
C1A C 0.2883(6) 0.00615(19) 0.2380(6) 0.0171(11) Uani 0.562(5) 1 d . . P A 1
H1A H 0.2241 -0.0236 0.2258 0.021 Uiso 0.562(5) 1 calc R U P A 1
H1B H 0.3189 0.0133 0.1489 0.021 Uiso 0.562(5) 1 calc R U P A 1
C2A C 0.2087(5) 0.0507(2) 0.2824(6) 0.0145(11) Uani 0.562(5) 1 d . . P A 1
H2A H 0.1788 0.0425 0.3712 0.017 Uiso 0.562(5) 1 calc R U P A 1
H2B H 0.1195 0.0562 0.2131 0.017 Uiso 0.562(5) 1 calc R U P A 1
C3A C 0.3239(5) 0.11667(18) 0.1686(5) 0.0183(12) Uani 0.562(5) 1 d . . P A 1
H3A H 0.2344 0.1314 0.1148 0.022 Uiso 0.562(5) 1 calc R U P A 1
H3B H 0.3493 0.0867 0.1188 0.022 Uiso 0.562(5) 1 calc R U P A 1
C4A C 0.4454(8) 0.1543(2) 0.1829(8) 0.0195(15) Uani 0.562(5) 1 d . . P A 1
H4A H 0.4286 0.1805 0.2495 0.023 Uiso 0.562(5) 1 calc R U P A 1
H4B H 0.4433 0.1708 0.0925 0.023 Uiso 0.562(5) 1 calc R U P A 1
C5A C 0.6372(7) 0.1030(2) 0.1168(6) 0.0176(12) Uani 0.562(5) 1 d . . P A 1
H5A H 0.6722 0.1267 0.0526 0.021 Uiso 0.562(5) 1 calc R U P A 1
H5B H 0.5499 0.0860 0.0658 0.021 Uiso 0.562(5) 1 calc R U P A 1
C6A C 0.7542(6) 0.06422(19) 0.1659(5) 0.0184(12) Uani 0.562(5) 1 d . . P A 1
H6A H 0.8414 0.0815 0.2164 0.022 Uiso 0.562(5) 1 calc R U P A 1
H6B H 0.7813 0.0475 0.0845 0.022 Uiso 0.562(5) 1 calc R U P A 1
C7A C 0.5950 -0.0085(2) 0.1781(6) 0.0183(11) Uani 0.562(5) 1 d . . P A 1
H7A H 0.6423 -0.0322 0.1227 0.022 Uiso 0.562(5) 1 calc R U P A 1
H7B H 0.5267 0.0127 0.1140 0.022 Uiso 0.562(5) 1 calc R U P A 1
C8A C 0.5143(7) -0.0371(2) 0.2725(6) 0.0167(11) Uani 0.562(5) 1 d . . P A 1
H8A H 0.5855 -0.0531 0.3465 0.020 Uiso 0.562(5) 1 calc R U P A 1
H8B H 0.4572 -0.0641 0.2191 0.020 Uiso 0.562(5) 1 calc R U P A 1
C1B C 0.2496(7) 0.0186(3) 0.2963(8) 0.0180(15) Uani 0.438(5) 1 d . . P A 2
H1C H 0.1894 -0.0069 0.2395 0.022 Uiso 0.438(5) 1 calc R U P A 2
H1D H 0.2083 0.0237 0.3809 0.022 Uiso 0.438(5) 1 calc R U P A 2
C2B C 0.2373(8) 0.0675(2) 0.2164(8) 0.0236(16) Uani 0.438(5) 1 d . . P A 2
H2C H 0.2861 0.0645 0.1357 0.028 Uiso 0.438(5) 1 calc R U P A 2
H2D H 0.1342 0.0759 0.1828 0.028 Uiso 0.438(5) 1 calc R U P A 2
C3B C 0.3443(8) 0.1516(2) 0.2107(7) 0.0234(17) Uani 0.438(5) 1 d . . P A 2
H3C H 0.2597 0.1610 0.1397 0.028 Uiso 0.438(5) 1 calc R U P A 2
H3D H 0.3688 0.1807 0.2732 0.028 Uiso 0.438(5) 1 calc R U P A 2
C4B C 0.4702(11) 0.1400(3) 0.1419(10) 0.0231(19) Uani 0.438(5) 1 d . . P A 2
H4C H 0.4461 0.1102 0.0823 0.028 Uiso 0.438(5) 1 calc R U P A 2
H4D H 0.4847 0.1686 0.0816 0.028 Uiso 0.438(5) 1 calc R U P A 2
C5B C 0.7092(9) 0.1038(3) 0.1591(8) 0.0215(16) Uani 0.438(5) 1 d . . P A 2
H5C H 0.7085 0.1195 0.0679 0.026 Uiso 0.438(5) 1 calc R U P A 2
H5D H 0.8078 0.1078 0.2147 0.026 Uiso 0.438(5) 1 calc R U P A 2
C6B C 0.6749(9) 0.0487(3) 0.1397(7) 0.0242(16) Uani 0.438(5) 1 d . . P A 2
H6C H 0.5712 0.0446 0.0986 0.029 Uiso 0.438(5) 1 calc R U P A 2
H6D H 0.7329 0.0342 0.0748 0.029 Uiso 0.438(5) 1 calc R U P A 2
C7B C 0.6117(7) -0.0275(3) 0.2488(8) 0.0198(15) Uani 0.438(5) 1 d . . P A 2
H7C H 0.6350 -0.0465 0.1694 0.024 Uiso 0.438(5) 1 calc R U P A 2
H7D H 0.6448 -0.0479 0.3326 0.024 Uiso 0.438(5) 1 calc R U P A 2
C8B C 0.4499(9) -0.0229(3) 0.2296(8) 0.0212(16) Uani 0.438(5) 1 d . . P A 2
H8C H 0.4144 -0.0014 0.1484 0.025 Uiso 0.438(5) 1 calc R U P A 2
H8D H 0.4055 -0.0565 0.2116 0.025 Uiso 0.438(5) 1 calc R U P A 2
C11 C 0.2073(3) 0.13321(11) 0.3703(4) 0.0326(7) Uani 1 1 d . . . . .
H11A H 0.1190 0.1419 0.3048 0.049 Uiso 1 1 calc R U . . .
H11B H 0.2586 0.1640 0.4048 0.049 Uiso 1 1 calc R U . . .
H11C H 0.1815 0.1144 0.4477 0.049 Uiso 1 1 calc R U . . .
C12 C 0.8950(3) 0.09499(11) 0.5649(3) 0.0210(6) Uani 1 1 d . . . . .
H12A H 0.995(4) 0.0945(12) 0.587(3) 0.032 Uiso 1 1 d . U . . .
H12B H 0.866(3) 0.0593(12) 0.586(3) 0.032 Uiso 1 1 d . U . . .
H12C H 0.866(3) 0.1005(11) 0.460(3) 0.032 Uiso 1 1 d . U . . .
C13 C 0.6861(3) 0.17557(11) 0.2782(3) 0.0293(7) Uani 1 1 d . . . . .
H13A H 0.6851 0.1983 0.1998 0.044 Uiso 1 1 calc R U . . .
H13B H 0.7861 0.1654 0.3149 0.044 Uiso 1 1 calc R U . . .
H13C H 0.6456 0.1928 0.3504 0.044 Uiso 1 1 calc R U . . .
C14 C 0.8440(3) 0.00004(12) 0.3130(3) 0.0318(7) Uani 1 1 d . . . . .
H14A H 0.8768 -0.0175 0.2368 0.048 Uiso 1 1 calc R U . . .
H14B H 0.8350 -0.0240 0.3862 0.048 Uiso 1 1 calc R U . . .
H14C H 0.9145 0.0260 0.3497 0.048 Uiso 1 1 calc R U . . .
C15 C 0.9090(3) 0.12845(11) 0.8545(3) 0.0232(6) Uani 1 1 d . . . . .
H15A H 0.8885 0.1551 0.9168 0.035 Uiso 1 1 calc R U . . .
H15B H 1.0141 0.1253 0.8607 0.035 Uiso 1 1 calc R U . . .
H15C H 0.8697 0.0966 0.8811 0.035 Uiso 1 1 calc R U . . .
C16 C 0.9135(3) 0.20468(11) 0.6342(3) 0.0294(7) Uani 1 1 d . . . . .
H16A H 0.8735 0.2157 0.5401 0.044 Uiso 1 1 calc R U . . .
H16B H 1.0179 0.1990 0.6430 0.044 Uiso 1 1 calc R U . . .
H16C H 0.8962 0.2306 0.7000 0.044 Uiso 1 1 calc R U . . .
C17 C 0.6272(3) 0.22311(10) 0.8542(3) 0.0245(6) Uani 1 1 d . . . . .
H17A H 0.6555 0.1987 0.9287 0.037 Uiso 1 1 calc R U . . .
H17B H 0.5584 0.2472 0.8811 0.037 Uiso 1 1 calc R U . . .
H17C H 0.7134 0.2410 0.8370 0.037 Uiso 1 1 calc R U . . .
C18 C 0.4904(4) 0.24181(11) 0.5642(3) 0.0304(7) Uani 1 1 d . . . . .
H18A H 0.5788 0.2593 0.5510 0.046 Uiso 1 1 calc R U . . .
H18B H 0.4258 0.2655 0.5991 0.046 Uiso 1 1 calc R U . . .
H18C H 0.4413 0.2280 0.4757 0.046 Uiso 1 1 calc R U . . .
C19 C 0.3665(3) 0.16457(11) 0.7381(4) 0.0309(7) Uani 1 1 d . . . . .
H19A H 0.3122 0.1460 0.6593 0.046 Uiso 1 1 calc R U . . .
H19B H 0.3077 0.1926 0.7609 0.046 Uiso 1 1 calc R U . . .
H19C H 0.3895 0.1421 0.8179 0.046 Uiso 1 1 calc R U . . .


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

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Sr1 N1 2.598(2) . ?
Sr1 N6 2.627(2) . ?
Sr1 N1 2.641(2) 3_656 ?
Sr1 N2 2.818(2) . ?
Sr1 N3 2.827(2) . ?
Sr1 N4 2.829(2) . ?
Sr1 C8A 3.001(6) 3_656 ?
Sr1 C12 3.147(3) . ?
Sr1 C8B 3.336(8) 3_656 ?
Sr1 C1B 3.397(6) . ?
Sr1 C8A 3.398(5) . ?
Sr1 C8B 3.409(7) . ?
Sr1 H12B 2.88(3) . ?
Sr1 H12C 2.93(3) . ?
Si1 N6 1.679(2) . ?
Si1 C15 1.882(3) . ?
Si1 C16 1.888(3) . ?
Si1 C12 1.891(3) . ?
Si2 N6 1.688(2) . ?
Si2 C19 1.881(3) . ?
Si2 C18 1.883(3) . ?
Si2 C17 1.885(3) . ?
N1 C8B 1.325(7) . ?
N1 C1A 1.398(6) . ?
N1 C8A 1.570(6) . ?
N1 C1B 1.595(8) . ?
N1 Sr1 2.641(2) 3_656 ?
N2 C2B 1.324(6) . ?
N2 C3A 1.415(5) . ?
N2 C11 1.448(4) . ?
N2 C2A 1.624(6) . ?
N2 C3B 1.673(7) . ?
N3 C4B 1.383(10) . ?
N3 C5A 1.460(6) . ?
N3 C13 1.466(3) . ?
N3 C5B 1.548(7) . ?
N3 C4A 1.561(7) . ?
N4 C6B 1.377(7) . ?
N4 C14 1.447(4) . ?
N4 C7A 1.466(4) . ?
N4 C6A 1.582(5) . ?
N4 C7B 1.596(7) . ?
C1A C2A 1.510(7) . ?
C1A H1A 0.9900 . ?
C1A H1B 0.9900 . ?
C2A H2A 0.9900 . ?
C2A H2B 0.9900 . ?
C3A C4A 1.505(8) . ?
C3A H3A 0.9900 . ?
C3A H3B 0.9900 . ?
C4A H4A 0.9900 . ?
C4A H4B 0.9900 . ?
C5A C6A 1.522(8) . ?
C5A H5A 0.9900 . ?
C5A H5B 0.9900 . ?
C6A H6A 0.9900 . ?
C6A H6B 0.9900 . ?
C7A C8A 1.509(7) . ?
C7A H7A 0.9900 . ?
C7A H7B 0.9900 . ?
C8A Sr1 3.001(6) 3_656 ?
C8A H8A 0.9900 . ?
C8A H8B 0.9900 . ?
C1B C2B 1.516(9) . ?
C1B H1C 0.9900 . ?
C1B H1D 0.9900 . ?
C2B H2C 0.9900 . ?
C2B H2D 0.9900 . ?
C3B C4B 1.497(10) . ?
C3B H3C 0.9900 . ?
C3B H3D 0.9900 . ?
C4B H4C 0.9900 . ?
C4B H4D 0.9900 . ?
C5B C6B 1.509(11) . ?
C5B H5C 0.9900 . ?
C5B H5D 0.9900 . ?
C6B H6C 0.9900 . ?
C6B H6D 0.9900 . ?
C7B C8B 1.500(10) . ?
C7B H7C 0.9900 . ?
C7B H7D 0.9900 . ?
C8B Sr1 3.336(8) 3_656 ?
C8B H8C 0.9900 . ?
C8B H8D 0.9900 . ?
C11 H11A 0.9800 . ?
C11 H11B 0.9800 . ?
C11 H11C 0.9800 . ?
C12 H12A 0.92(3) . ?
C12 H12B 1.02(3) . ?
C12 H12C 1.03(3) . ?
C13 H13A 0.9800 . ?
C13 H13B 0.9800 . ?
C13 H13C 0.9800 . ?
C14 H14A 0.9800 . ?
C14 H14B 0.9800 . ?
C14 H14C 0.9800 . ?
C15 H15A 0.9800 . ?
C15 H15B 0.9800 . ?
C15 H15C 0.9800 . ?
C16 H16A 0.9800 . ?
C16 H16B 0.9800 . ?
C16 H16C 0.9800 . ?
C17 H17A 0.9800 . ?
C17 H17B 0.9800 . ?
C17 H17C 0.9800 . ?
C18 H18A 0.9800 . ?
C18 H18B 0.9800 . ?
C18 H18C 0.9800 . ?
C19 H19A 0.9800 . ?
C19 H19B 0.9800 . ?
C19 H19C 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 Sr1 N6 157.87(7) . . ?
N1 Sr1 N1 77.94(8) . 3_656 ?
N6 Sr1 N1 92.57(7) . 3_656 ?
N1 Sr1 N2 67.26(7) . . ?
N6 Sr1 N2 103.84(7) . . ?
N1 Sr1 N2 124.76(7) 3_656 . ?
N1 Sr1 N3 101.88(7) . . ?
N6 Sr1 N3 92.06(7) . . ?
N1 Sr1 N3 166.17(7) 3_656 . ?
N2 Sr1 N3 66.46(7) . . ?
N1 Sr1 N4 69.01(7) . . ?
N6 Sr1 N4 133.01(7) . . ?
N1 Sr1 N4 102.55(7) 3_656 . ?
N2 Sr1 N4 103.15(7) . . ?
N3 Sr1 N4 65.09(6) . . ?
N1 Sr1 H12B 122.8(6) . . ?
N6 Sr1 H12B 70.8(6) . . ?
N1 Sr1 H12B 70.3(6) 3_656 . ?
N2 Sr1 H12B 164.8(6) . . ?
N3 Sr1 H12B 99.0(6) . . ?
N4 Sr1 H12B 73.1(6) . . ?
N1 Sr1 H12C 131.8(6) . . ?
N6 Sr1 H12C 69.6(6) . . ?
N1 Sr1 H12C 103.3(6) 3_656 . ?
N2 Sr1 H12C 131.9(6) . . ?
N3 Sr1 H12C 66.3(6) . . ?
N4 Sr1 H12C 63.7(6) . . ?
H12B Sr1 H12C 33.0(8) . . ?
N6 Si1 C15 116.94(12) . . ?
N6 Si1 C16 115.89(12) . . ?
C15 Si1 C16 104.39(13) . . ?
N6 Si1 C12 109.49(12) . . ?
C15 Si1 C12 103.75(13) . . ?
C16 Si1 C12 105.11(14) . . ?
N6 Si1 Sr1 46.07(7) . . ?
C15 Si1 Sr1 124.98(9) . . ?
C16 Si1 Sr1 130.55(10) . . ?
C12 Si1 Sr1 63.51(9) . . ?
N6 Si2 C19 113.16(12) . . ?
N6 Si2 C18 112.69(13) . . ?
C19 Si2 C18 107.84(15) . . ?
N6 Si2 C17 115.87(12) . . ?
C19 Si2 C17 103.15(14) . . ?
C18 Si2 C17 103.14(13) . . ?
C1A N1 C8A 106.7(4) . . ?
C8B N1 C1B 108.5(5) . . ?
C8B N1 Sr1 116.9(3) . . ?
C1A N1 Sr1 120.6(2) . . ?
C8A N1 Sr1 106.6(2) . . ?
C1B N1 Sr1 105.7(3) . . ?
C8B N1 Sr1 110.1(4) . 3_656 ?
C1A N1 Sr1 127.4(2) . 3_656 ?
C8A N1 Sr1 87.0(2) . 3_656 ?
C1B N1 Sr1 113.6(3) . 3_656 ?
Sr1 N1 Sr1 102.06(8) . 3_656 ?
C2B N2 C11 117.2(4) . . ?
C3A N2 C11 119.7(3) . . ?
C3A N2 C2A 106.7(3) . . ?
C11 N2 C2A 100.5(3) . . ?
C2B N2 C3B 109.9(5) . . ?
C11 N2 C3B 92.4(3) . . ?
C4B N3 C13 115.5(4) . . ?
C5A N3 C13 116.7(3) . . ?
C4B N3 C5B 111.2(5) . . ?
C13 N3 C5B 98.0(4) . . ?
C5A N3 C4A 107.8(4) . . ?
C13 N3 C4A 101.9(3) . . ?
C4B N3 Sr1 113.5(4) . . ?
C5A N3 Sr1 113.9(2) . . ?
C13 N3 Sr1 110.79(16) . . ?
C5B N3 Sr1 106.4(3) . . ?
C4A N3 Sr1 104.2(3) . . ?
C6B N4 C14 122.3(4) . . ?
C14 N4 C7A 116.5(2) . . ?
C14 N4 C6A 98.7(3) . . ?
C7A N4 C6A 107.8(3) . . ?
C6B N4 C7B 108.8(5) . . ?
C14 N4 C7B 96.8(3) . . ?
C6B N4 Sr1 109.8(3) . . ?
C14 N4 Sr1 117.34(17) . . ?
C7A N4 Sr1 106.52(18) . . ?
C6A N4 Sr1 109.2(2) . . ?
C7B N4 Sr1 97.1(3) . . ?
Si1 N6 Si2 122.53(13) . . ?
Si1 N6 Sr1 106.53(10) . . ?
Si2 N6 Sr1 130.63(11) . . ?
N1 C1A C2A 108.2(4) . . ?
N1 C1A H1A 110.1 . . ?
C2A C1A H1A 110.1 . . ?
N1 C1A H1B 110.1 . . ?
C2A C1A H1B 110.1 . . ?
H1A C1A H1B 108.4 . . ?
C1A C2A N2 115.2(4) . . ?
C1A C2A H2A 108.5 . . ?
N2 C2A H2A 108.5 . . ?
C1A C2A H2B 108.5 . . ?
N2 C2A H2B 108.5 . . ?
H2A C2A H2B 107.5 . . ?
N2 C3A C4A 109.4(5) . . ?
N2 C3A H3A 109.8 . . ?
C4A C3A H3A 109.8 . . ?
N2 C3A H3B 109.8 . . ?
C4A C3A H3B 109.8 . . ?
H3A C3A H3B 108.2 . . ?
C3A C4A N3 113.8(4) . . ?
C3A C4A H4A 108.8 . . ?
N3 C4A H4A 108.8 . . ?
C3A C4A H4B 108.8 . . ?
N3 C4A H4B 108.8 . . ?
H4A C4A H4B 107.7 . . ?
N3 C5A C6A 111.5(5) . . ?
N3 C5A H5A 109.3 . . ?
C6A C5A H5A 109.3 . . ?
N3 C5A H5B 109.3 . . ?
C6A C5A H5B 109.3 . . ?
H5A C5A H5B 108.0 . . ?
C5A C6A N4 112.9(4) . . ?
C5A C6A H6A 109.0 . . ?
N4 C6A H6A 109.0 . . ?
C5A C6A H6B 109.0 . . ?
N4 C6A H6B 109.0 . . ?
H6A C6A H6B 107.8 . . ?
N4 C7A C8A 108.4(4) . . ?
N4 C7A H7A 110.0 . . ?
C8A C7A H7A 110.0 . . ?
N4 C7A H7B 110.0 . . ?
C8A C7A H7B 110.0 . . ?
H7A C7A H7B 108.4 . . ?
C7A C8A N1 113.2(4) . . ?
C7A C8A H8A 108.9 . . ?
N1 C8A H8A 108.9 . . ?
C7A C8A H8B 108.9 . . ?
N1 C8A H8B 108.9 . . ?
H8A C8A H8B 107.8 . . ?
C2B C1B N1 115.6(5) . . ?
C2B C1B H1C 108.4 . . ?
N1 C1B H1C 108.4 . . ?
C2B C1B H1D 108.4 . . ?
N1 C1B H1D 108.4 . . ?
H1C C1B H1D 107.4 . . ?
N2 C2B C1B 107.4(6) . . ?
N2 C2B H2C 110.2 . . ?
C1B C2B H2C 110.2 . . ?
N2 C2B H2D 110.2 . . ?
C1B C2B H2D 110.2 . . ?
H2C C2B H2D 108.5 . . ?
C4B C3B N2 111.9(5) . . ?
C4B C3B H3C 109.2 . . ?
N2 C3B H3C 109.2 . . ?
C4B C3B H3D 109.2 . . ?
N2 C3B H3D 109.2 . . ?
H3C C3B H3D 107.9 . . ?
N3 C4B C3B 114.3(7) . . ?
N3 C4B H4C 108.7 . . ?
C3B C4B H4C 108.7 . . ?
N3 C4B H4D 108.7 . . ?
C3B C4B H4D 108.7 . . ?
H4C C4B H4D 107.6 . . ?
C6B C5B N3 111.7(6) . . ?
C6B C5B H5C 109.3 . . ?
N3 C5B H5C 109.3 . . ?
C6B C5B H5D 109.3 . . ?
N3 C5B H5D 109.3 . . ?
H5C C5B H5D 107.9 . . ?
N4 C6B C5B 111.5(6) . . ?
N4 C6B H6C 109.3 . . ?
C5B C6B H6C 109.3 . . ?
N4 C6B H6D 109.3 . . ?
C5B C6B H6D 109.3 . . ?
H6C C6B H6D 108.0 . . ?
C8B C7B N4 117.8(5) . . ?
C8B C7B H7C 107.9 . . ?
N4 C7B H7C 107.9 . . ?
C8B C7B H7D 107.9 . . ?
N4 C7B H7D 107.9 . . ?
H7C C7B H7D 107.2 . . ?
N1 C8B C7B 111.2(7) . . ?
N1 C8B H8C 109.4 . . ?
C7B C8B H8C 109.4 . . ?
N1 C8B H8D 109.4 . . ?
C7B C8B H8D 109.4 . . ?
H8C C8B H8D 108.0 . . ?
N2 C11 H11A 109.5 . . ?
N2 C11 H11B 109.5 . . ?
H11A C11 H11B 109.5 . . ?
N2 C11 H11C 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
Si1 C12 H12A 110(2) . . ?
Si1 C12 H12B 113.7(18) . . ?
H12A C12 H12B 104(3) . . ?
Si1 C12 H12C 113.8(17) . . ?
H12A C12 H12C 108(3) . . ?
H12B C12 H12C 108(2) . . ?
N3 C13 H13A 109.5 . . ?
N3 C13 H13B 109.5 . . ?
H13A C13 H13B 109.5 . . ?
N3 C13 H13C 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
N4 C14 H14A 109.5 . . ?
N4 C14 H14B 109.5 . . ?
H14A C14 H14B 109.5 . . ?
N4 C14 H14C 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
Si1 C15 H15A 109.5 . . ?
Si1 C15 H15B 109.5 . . ?
H15A C15 H15B 109.5 . . ?
Si1 C15 H15C 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
Si1 C16 H16A 109.5 . . ?
Si1 C16 H16B 109.5 . . ?
H16A C16 H16B 109.5 . . ?
Si1 C16 H16C 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
Si2 C17 H17A 109.5 . . ?
Si2 C17 H17B 109.5 . . ?
H17A C17 H17B 109.5 . . ?
Si2 C17 H17C 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
Si2 C18 H18A 109.5 . . ?
Si2 C18 H18B 109.5 . . ?
H18A C18 H18B 109.5 . . ?
Si2 C18 H18C 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
Si2 C19 H19A 109.5 . . ?
Si2 C19 H19B 109.5 . . ?
H19A C19 H19B 109.5 . . ?
Si2 C19 H19C 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C15 Si1 N6 Si2 72.08(18) . . . . ?
C16 Si1 N6 Si2 -51.7(2) . . . . ?
C12 Si1 N6 Si2 -170.37(15) . . . . ?
Sr1 Si1 N6 Si2 -174.1(2) . . . . ?
C15 Si1 N6 Sr1 -113.79(12) . . . . ?
C16 Si1 N6 Sr1 122.39(13) . . . . ?
C12 Si1 N6 Sr1 3.76(14) . . . . ?
C19 Si2 N6 Si1 -143.51(16) . . . . ?
C18 Si2 N6 Si1 93.81(18) . . . . ?
C17 Si2 N6 Si1 -24.7(2) . . . . ?
C19 Si2 N6 Sr1 43.92(19) . . . . ?
C18 Si2 N6 Sr1 -78.77(18) . . . . ?
C17 Si2 N6 Sr1 162.76(13) . . . . ?
C8B N1 C1A C2A -155.2(5) . . . . ?
C8A N1 C1A C2A -162.4(4) . . . . ?
C1B N1 C1A C2A 26.4(5) . . . . ?
Sr1 N1 C1A C2A -40.8(5) . . . . ?
Sr1 N1 C1A C2A 98.4(4) 3_656 . . . ?
N1 C1A C2A N2 61.6(6) . . . . ?
C2B N2 C2A C1A 66.3(7) . . . . ?
C3A N2 C2A C1A 66.0(5) . . . . ?
C11 N2 C2A C1A -168.5(4) . . . . ?
C3B N2 C2A C1A 84.1(7) . . . . ?
Sr1 N2 C2A C1A -47.7(5) . . . . ?
C2B N2 C3A C4A -162.3(5) . . . . ?
C11 N2 C3A C4A 85.0(5) . . . . ?
C2A N2 C3A C4A -162.2(4) . . . . ?
C3B N2 C3A C4A 36.5(5) . . . . ?
Sr1 N2 C3A C4A -53.5(4) . . . . ?
N2 C3A C4A N3 74.2(6) . . . . ?
C4B N3 C4A C3A 69.0(13) . . . . ?
C5A N3 C4A C3A 73.6(6) . . . . ?
C13 N3 C4A C3A -163.0(5) . . . . ?
C5B N3 C4A C3A 83.1(7) . . . . ?
Sr1 N3 C4A C3A -47.7(5) . . . . ?
C4B N3 C5A C6A -157.3(6) . . . . ?
C13 N3 C5A C6A 87.0(5) . . . . ?
C5B N3 C5A C6A 35.6(7) . . . . ?
C4A N3 C5A C6A -159.1(5) . . . . ?
Sr1 N3 C5A C6A -44.1(5) . . . . ?
N3 C5A C6A N4 62.0(6) . . . . ?
C6B N4 C6A C5A 51.6(7) . . . . ?
C14 N4 C6A C5A -168.4(4) . . . . ?
C7A N4 C6A C5A 70.0(5) . . . . ?
C7B N4 C6A C5A 80.9(6) . . . . ?
Sr1 N4 C6A C5A -45.3(5) . . . . ?
C6B N4 C7A C8A -153.0(5) . . . . ?
C14 N4 C7A C8A 87.2(4) . . . . ?
C6A N4 C7A C8A -163.0(4) . . . . ?
C7B N4 C7A C8A 30.8(5) . . . . ?
Sr1 N4 C7A C8A -45.9(4) . . . . ?
N4 C7A C8A N1 72.0(5) . . . . ?
N4 C7A C8A Sr1 0.8(11) . . . 3_656 ?
N4 C7A C8A Sr1 35.3(3) . . . . ?
C8B N1 C8A C7A 61.7(8) . . . . ?
C1A N1 C8A C7A 76.0(5) . . . . ?
C1B N1 C8A C7A 82.5(6) . . . . ?
Sr1 N1 C8A C7A -54.0(5) . . . . ?
Sr1 N1 C8A C7A -155.7(4) 3_656 . . . ?
C8B N1 C8A Sr1 -142.6(8) . . . 3_656 ?
C1A N1 C8A Sr1 -128.3(3) . . . 3_656 ?
C1B N1 C8A Sr1 -121.8(5) . . . 3_656 ?
Sr1 N1 C8A Sr1 101.69(12) . . . 3_656 ?
C8B N1 C8A Sr1 115.7(7) . . . . ?
C1A N1 C8A Sr1 130.0(3) . . . . ?
C1B N1 C8A Sr1 136.5(5) . . . . ?
Sr1 N1 C8A Sr1 -101.69(12) 3_656 . . . ?
C8B N1 C1B C2B -75.3(7) . . . . ?
C1A N1 C1B C2B -73.6(8) . . . . ?
C8A N1 C1B C2B -85.8(8) . . . . ?
Sr1 N1 C1B C2B 50.9(7) . . . . ?
Sr1 N1 C1B C2B 162.0(5) 3_656 . . . ?
C8B N1 C1B Sr1 -126.1(4) . . . . ?
C1A N1 C1B Sr1 -124.5(6) . . . . ?
C8A N1 C1B Sr1 -136.7(5) . . . . ?
Sr1 N1 C1B Sr1 111.1(2) 3_656 . . . ?
C3A N2 C2B C1B 147.7(6) . . . . ?
C11 N2 C2B C1B -96.6(6) . . . . ?
C2A N2 C2B C1B -32.0(5) . . . . ?
C3B N2 C2B C1B 159.8(6) . . . . ?
Sr1 N2 C2B C1B 43.5(7) . . . . ?
N1 C1B C2B N2 -67.3(8) . . . . ?
Sr1 C1B C2B N2 -32.2(5) . . . . ?
C2B N2 C3B C4B -72.5(7) . . . . ?
C3A N2 C3B C4B -53.3(6) . . . . ?
C11 N2 C3B C4B 167.3(6) . . . . ?
C2A N2 C3B C4B -82.6(8) . . . . ?
Sr1 N2 C3B C4B 48.4(6) . . . . ?
C5A N3 C4B C3B 155.9(7) . . . . ?
C13 N3 C4B C3B -87.2(7) . . . . ?
C5B N3 C4B C3B 162.3(6) . . . . ?
C4A N3 C4B C3B -28.4(10) . . . . ?
Sr1 N3 C4B C3B 42.4(8) . . . . ?
N2 C3B C4B N3 -64.7(8) . . . . ?
C4B N3 C5B C6B -77.5(8) . . . . ?
C5A N3 C5B C6B -63.7(8) . . . . ?
C13 N3 C5B C6B 161.1(6) . . . . ?
C4A N3 C5B C6B -83.5(8) . . . . ?
Sr1 N3 C5B C6B 46.6(7) . . . . ?
C14 N4 C6B C5B -91.1(6) . . . . ?
C7A N4 C6B C5B 155.6(7) . . . . ?
C6A N4 C6B C5B -42.3(6) . . . . ?
C7B N4 C6B C5B 157.7(6) . . . . ?
Sr1 N4 C6B C5B 52.5(7) . . . . ?
N3 C5B C6B N4 -71.8(8) . . . . ?
C6B N4 C7B C8B -66.2(8) . . . . ?
C14 N4 C7B C8B 166.4(6) . . . . ?
C7A N4 C7B C8B -62.3(7) . . . . ?
C6A N4 C7B C8B -82.3(8) . . . . ?
Sr1 N4 C7B C8B 47.6(7) . . . . ?
C6B N4 C7B Sr1 -113.8(4) . . . . ?
C14 N4 C7B Sr1 118.7(2) . . . . ?
C7A N4 C7B Sr1 -109.9(5) . . . . ?
C6A N4 C7B Sr1 -129.9(5) . . . . ?
C1A N1 C8B C7B 159.1(7) . . . . ?
C8A N1 C8B C7B -35.0(7) . . . . ?
C1B N1 C8B C7B 160.0(6) . . . . ?
Sr1 N1 C8B C7B 40.6(7) . . . . ?
Sr1 N1 C8B C7B -75.2(6) 3_656 . . . ?
C1A N1 C8B Sr1 -125.8(3) . . . 3_656 ?
C8A N1 C8B Sr1 40.2(8) . . . 3_656 ?
C1B N1 C8B Sr1 -124.9(4) . . . 3_656 ?
Sr1 N1 C8B Sr1 115.8(3) . . . 3_656 ?
C1A N1 C8B Sr1 118.5(3) . . . . ?
C8A N1 C8B Sr1 -75.6(8) . . . . ?
C1B N1 C8B Sr1 119.3(4) . . . . ?
Sr1 N1 C8B Sr1 -115.8(3) 3_656 . . . ?
N4 C7B C8B N1 -65.5(9) . . . . ?
Sr1 C7B C8B N1 -26.9(5) . . . . ?
N4 C7B C8B Sr1 -111.5(6) . . . 3_656 ?
Sr1 C7B C8B Sr1 -73.01(15) . . . 3_656 ?
N4 C7B C8B Sr1 -38.5(5) . . . . ?
N6 Si1 C12 Sr1 -3.03(11) . . . . ?
C15 Si1 C12 Sr1 122.52(10) . . . . ?
C16 Si1 C12 Sr1 -128.15(11) . . . . ?

_refine_diff_density_max         0.548
_refine_diff_density_min         -0.785
_refine_diff_density_rms         0.089

_shelxl_version_number           2013-4

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

data_5
_database_code_depnum_ccdc_archive 'CCDC 1537656'
_audit_update_record             
;
2017-03-13 deposited with the CCDC.
2017-06-02 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2013
_chemical_name_systematic        
;
 ?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C15 H39 Mg N5 Si2'
_chemical_formula_sum            'C15 H39 Mg N5 Si2'
_chemical_formula_weight         370.00

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'
Mg Mg 0.0486 0.0363 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Si Si 0.0817 0.0704 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

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

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;

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

_cell_length_a                   17.331(15)
_cell_length_b                   13.273(12)
_cell_length_c                   18.878(18)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     4343(7)
_cell_formula_units_Z            8
_cell_measurement_temperature    110(2)
_cell_measurement_reflns_used    1270
_cell_measurement_theta_min      2.16
_cell_measurement_theta_max      25.76

_exptl_crystal_description       block
_exptl_crystal_colour            colourless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.132
_exptl_crystal_F_000             1632
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.490
_exptl_crystal_size_mid          0.450
_exptl_crystal_size_min          0.210
_exptl_absorpt_coefficient_mu    0.199
_shelx_estimated_absorpt_T_min   0.909
_shelx_estimated_absorpt_T_max   0.959
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.2889
_exptl_absorpt_correction_T_max  0.7453
_exptl_absorpt_process_details   'SADABS Bruker'

_exptl_special_details           
;
 ?
;

_diffrn_ambient_temperature      110(2)

_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a

_diffrn_radiation_source         microsource

_diffrn_radiation_monochromator  'multilayer optics'

_diffrn_measurement_device_type  'Bruker APEX CCD'
_diffrn_measurement_method       'ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            24014
_diffrn_reflns_av_unetI/netI     0.0435
_diffrn_reflns_av_R_equivalents  0.0582
_diffrn_reflns_limit_h_min       -21
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_theta_min         2.158
_diffrn_reflns_theta_max         26.045
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.984
_diffrn_measured_fraction_theta_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.984
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.984
_diffrn_reflns_point_group_measured_fraction_full 1.000
_reflns_number_total             4227
_reflns_number_gt                3505
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;

_computing_data_collection       'Bruker APEX2'

_computing_cell_refinement       'Bruker SAINT'

_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SIR-92 (Altomare, 1994)'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    ?
_computing_publication_material  ?

_refine_special_details          
;
 ?
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0500P)²+1.5891P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   mixed
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         4227
_refine_ls_number_parameters     221
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0509
_refine_ls_R_factor_gt           0.0394
_refine_ls_wR_factor_ref         0.1046
_refine_ls_wR_factor_gt          0.0962
_refine_ls_goodness_of_fit_ref   1.040
_refine_ls_restrained_S_all      1.040
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Si1 Si 0.20266(3) 0.68698(4) 0.67644(3) 0.02152(14) Uani 1 1 d . . . . .
H1 H 0.2582(12) 0.7127(14) 0.7289(10) 0.026 Uiso 1 1 d . U . . .
Si2 Si 0.08633(3) 0.52497(4) 0.65823(3) 0.02458(15) Uani 1 1 d . . . . .
H2 H 0.0323(12) 0.4789(15) 0.6997(10) 0.029 Uiso 1 1 d . U . . .
Mg1 Mg 0.14542(3) 0.58626(4) 0.81552(3) 0.01926(16) Uani 1 1 d . . . . .
N1 N 0.17647(9) 0.68146(12) 0.89199(8) 0.0245(4) Uani 1 1 d . . . . .
N2 N 0.25827(9) 0.51388(11) 0.85038(8) 0.0231(3) Uani 1 1 d . . . . .
N3 N 0.10229(9) 0.44336(12) 0.86056(8) 0.0252(4) Uani 1 1 d . . . . .
N4 N 0.02742(9) 0.63823(12) 0.85449(8) 0.0250(4) Uani 1 1 d . . . . .
N5 N 0.14407(9) 0.59717(11) 0.70899(8) 0.0228(3) Uani 1 1 d . . . . .
C1 C 0.24443(12) 0.65852(15) 0.93192(10) 0.0287(4) Uani 1 1 d . . . . .
H1A H 0.2307 0.6189 0.9745 0.034 Uiso 1 1 calc R U . . .
H1B H 0.2698 0.7216 0.9475 0.034 Uiso 1 1 calc R U . . .
C2 C 0.29839(11) 0.59873(15) 0.88538(11) 0.0283(4) Uani 1 1 d . . . . .
H2A H 0.3206 0.6437 0.8488 0.034 Uiso 1 1 calc R U . . .
H2B H 0.3413 0.5722 0.9145 0.034 Uiso 1 1 calc R U . . .
C3 C 0.23805(12) 0.43488(14) 0.90228(10) 0.0285(4) Uani 1 1 d . . . . .
H3A H 0.2704 0.4433 0.9451 0.034 Uiso 1 1 calc R U . . .
H3B H 0.2497 0.3680 0.8817 0.034 Uiso 1 1 calc R U . . .
C4 C 0.15331(11) 0.43831(15) 0.92348(10) 0.0286(4) Uani 1 1 d . . . . .
H4A H 0.1406 0.3775 0.9514 0.034 Uiso 1 1 calc R U . . .
H4B H 0.1441 0.4980 0.9538 0.034 Uiso 1 1 calc R U . . .
C5 C 0.02126(12) 0.45798(15) 0.88168(11) 0.0312(5) Uani 1 1 d . . . . .
H5A H 0.0084 0.4094 0.9197 0.037 Uiso 1 1 calc R U . . .
H5B H -0.0125 0.4433 0.8406 0.037 Uiso 1 1 calc R U . . .
C6 C 0.00484(12) 0.56299(15) 0.90755(10) 0.0301(5) Uani 1 1 d . . . . .
H6A H -0.0509 0.5698 0.9179 0.036 Uiso 1 1 calc R U . . .
H6B H 0.0336 0.5753 0.9520 0.036 Uiso 1 1 calc R U . . .
C7 C 0.04481(12) 0.73534(15) 0.88870(11) 0.0314(5) Uani 1 1 d . . . . .
H7A H 0.0012 0.7547 0.9197 0.038 Uiso 1 1 calc R U . . .
H7B H 0.0505 0.7880 0.8519 0.038 Uiso 1 1 calc R U . . .
C8 C 0.11819(12) 0.73020(15) 0.93245(10) 0.0299(4) Uani 1 1 d . . . . .
H8A H 0.1352 0.7990 0.9453 0.036 Uiso 1 1 calc R U . . .
H8B H 0.1086 0.6921 0.9767 0.036 Uiso 1 1 calc R U . . .
C9 C 0.30839(12) 0.47262(16) 0.79478(11) 0.0328(5) Uani 1 1 d . . . . .
H9A H 0.3567 0.4488 0.8160 0.049 Uiso 1 1 calc R U . . .
H9B H 0.3197 0.5252 0.7599 0.049 Uiso 1 1 calc R U . . .
H9C H 0.2822 0.4163 0.7714 0.049 Uiso 1 1 calc R U . . .
C10 C 0.10808(14) 0.34992(15) 0.81980(12) 0.0359(5) Uani 1 1 d . . . . .
H10A H 0.1615 0.3402 0.8043 0.054 Uiso 1 1 calc R U . . .
H10B H 0.0743 0.3540 0.7782 0.054 Uiso 1 1 calc R U . . .
H10C H 0.0922 0.2930 0.8495 0.054 Uiso 1 1 calc R U . . .
C11 C -0.03359(12) 0.65184(18) 0.80167(11) 0.0356(5) Uani 1 1 d . . . . .
H11A H -0.0479 0.5862 0.7818 0.053 Uiso 1 1 calc R U . . .
H11B H -0.0149 0.6959 0.7637 0.053 Uiso 1 1 calc R U . . .
H11C H -0.0788 0.6825 0.8242 0.053 Uiso 1 1 calc R U . . .
C12 C 0.15015(13) 0.80450(15) 0.65242(11) 0.0321(5) Uani 1 1 d . . . . .
H12A H 0.1151 0.7908 0.6128 0.048 Uiso 1 1 calc R U . . .
H12B H 0.1873 0.8565 0.6385 0.048 Uiso 1 1 calc R U . . .
H12C H 0.1204 0.8281 0.6933 0.048 Uiso 1 1 calc R U . . .
C13 C 0.25998(12) 0.64855(16) 0.59716(10) 0.0310(5) Uani 1 1 d . . . . .
H13A H 0.2895 0.5876 0.6082 0.047 Uiso 1 1 calc R U . . .
H13B H 0.2955 0.7030 0.5842 0.047 Uiso 1 1 calc R U . . .
H13C H 0.2250 0.6349 0.5575 0.047 Uiso 1 1 calc R U . . .
C14 C 0.03028(13) 0.59368(18) 0.58885(11) 0.0370(5) Uani 1 1 d . . . . .
H14A H 0.0011 0.6486 0.6109 0.055 Uiso 1 1 calc R U . . .
H14B H -0.0055 0.5470 0.5657 0.055 Uiso 1 1 calc R U . . .
H14C H 0.0659 0.6215 0.5536 0.055 Uiso 1 1 calc R U . . .
C15 C 0.13745(13) 0.42048(16) 0.61238(12) 0.0377(5) Uani 1 1 d . . . . .
H15A H 0.1774 0.4484 0.5813 0.057 Uiso 1 1 calc R U . . .
H15B H 0.1005 0.3818 0.5840 0.057 Uiso 1 1 calc R U . . .
H15C H 0.1614 0.3762 0.6476 0.057 Uiso 1 1 calc R U . . .


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

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Si1 N5 1.6823(19) . ?
Si1 C12 1.862(2) . ?
Si1 C13 1.867(2) . ?
Si1 Mg1 3.109(2) . ?
Si1 H1 1.42(2) . ?
Si2 N5 1.6845(18) . ?
Si2 C15 1.860(2) . ?
Si2 C14 1.868(2) . ?
Si2 Mg1 3.244(3) . ?
Si2 H2 1.36(2) . ?
Mg1 N1 1.992(2) . ?
Mg1 N5 2.016(2) . ?
Mg1 N3 2.209(2) . ?
Mg1 N2 2.276(2) . ?
Mg1 N4 2.280(2) . ?
Mg1 C4 2.834(3) . ?
N1 C8 1.422(3) . ?
N1 C1 1.431(3) . ?
N2 C9 1.468(3) . ?
N2 C3 1.477(2) . ?
N2 C2 1.479(3) . ?
N3 C10 1.463(3) . ?
N3 C5 1.473(3) . ?
N3 C4 1.482(3) . ?
N4 C11 1.465(3) . ?
N4 C6 1.468(3) . ?
N4 C7 1.473(3) . ?
C1 C2 1.509(3) . ?
C1 H1A 0.9900 . ?
C1 H1B 0.9900 . ?
C2 H2A 0.9900 . ?
C2 H2B 0.9900 . ?
C3 C4 1.523(3) . ?
C3 H3A 0.9900 . ?
C3 H3B 0.9900 . ?
C4 H4A 0.9900 . ?
C4 H4B 0.9900 . ?
C5 C6 1.504(3) . ?
C5 H5A 0.9900 . ?
C5 H5B 0.9900 . ?
C6 H6A 0.9900 . ?
C6 H6B 0.9900 . ?
C7 C8 1.518(3) . ?
C7 H7A 0.9900 . ?
C7 H7B 0.9900 . ?
C8 H8A 0.9900 . ?
C8 H8B 0.9900 . ?
C9 H9A 0.9800 . ?
C9 H9B 0.9800 . ?
C9 H9C 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 . ?
C12 H12A 0.9800 . ?
C12 H12B 0.9800 . ?
C12 H12C 0.9800 . ?
C13 H13A 0.9800 . ?
C13 H13B 0.9800 . ?
C13 H13C 0.9800 . ?
C14 H14A 0.9800 . ?
C14 H14B 0.9800 . ?
C14 H14C 0.9800 . ?
C15 H15A 0.9800 . ?
C15 H15B 0.9800 . ?
C15 H15C 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
N5 Si1 C12 112.80(11) . . ?
N5 Si1 C13 114.85(10) . . ?
C12 Si1 C13 107.08(11) . . ?
C12 Si1 Mg1 114.20(8) . . ?
C13 Si1 Mg1 136.82(8) . . ?
N5 Si1 H1 108.9(8) . . ?
C12 Si1 H1 107.4(8) . . ?
C13 Si1 H1 105.3(8) . . ?
Mg1 Si1 H1 74.4(8) . . ?
N5 Si2 C15 113.96(11) . . ?
N5 Si2 C14 115.47(11) . . ?
C15 Si2 C14 106.59(12) . . ?
C15 Si2 Mg1 117.56(9) . . ?
C14 Si2 Mg1 133.10(9) . . ?
N5 Si2 H2 109.6(8) . . ?
C15 Si2 H2 105.0(8) . . ?
C14 Si2 H2 105.3(9) . . ?
Mg1 Si2 H2 78.7(8) . . ?
N1 Mg1 N5 132.86(8) . . ?
N1 Mg1 N3 110.92(9) . . ?
N5 Mg1 N3 116.21(7) . . ?
N1 Mg1 N2 79.99(8) . . ?
N5 Mg1 N2 109.19(7) . . ?
N3 Mg1 N2 79.46(8) . . ?
N1 Mg1 N4 79.43(8) . . ?
N5 Mg1 N4 106.84(7) . . ?
N3 Mg1 N4 80.33(7) . . ?
N2 Mg1 N4 143.61(7) . . ?
N1 Mg1 Si1 104.65(8) . . ?
N3 Mg1 Si1 143.35(5) . . ?
N2 Mg1 Si1 98.71(6) . . ?
N4 Mg1 Si1 115.38(5) . . ?
C4 Mg1 Si1 152.88(5) . . ?
N1 Mg1 Si2 155.13(5) . . ?
N3 Mg1 Si2 91.73(6) . . ?
N2 Mg1 Si2 115.47(5) . . ?
N4 Mg1 Si2 95.05(6) . . ?
C4 Mg1 Si2 119.98(7) . . ?
C8 N1 C1 113.48(16) . . ?
C8 N1 Mg1 119.07(14) . . ?
C1 N1 Mg1 117.97(13) . . ?
C9 N2 C3 110.48(16) . . ?
C9 N2 C2 108.98(16) . . ?
C3 N2 C2 110.84(16) . . ?
C9 N2 Mg1 117.32(13) . . ?
C3 N2 Mg1 106.71(12) . . ?
C2 N2 Mg1 102.22(12) . . ?
C10 N3 C5 108.63(16) . . ?
C10 N3 C4 110.02(16) . . ?
C5 N3 C4 110.97(16) . . ?
C10 N3 Mg1 120.15(14) . . ?
C5 N3 Mg1 108.28(12) . . ?
C4 N3 Mg1 98.36(12) . . ?
C11 N4 C6 110.86(17) . . ?
C11 N4 C7 109.77(16) . . ?
C6 N4 C7 110.54(16) . . ?
C11 N4 Mg1 117.72(13) . . ?
C6 N4 Mg1 104.68(12) . . ?
C7 N4 Mg1 102.86(12) . . ?
Si1 N5 Si2 123.64(11) . . ?
Si1 N5 Mg1 114.09(8) . . ?
Si2 N5 Mg1 122.24(9) . . ?
N1 C1 C2 108.38(16) . . ?
N1 C1 H1A 110.0 . . ?
C2 C1 H1A 110.0 . . ?
N1 C1 H1B 110.0 . . ?
C2 C1 H1B 110.0 . . ?
H1A C1 H1B 108.4 . . ?
N2 C2 C1 111.67(17) . . ?
N2 C2 H2A 109.3 . . ?
C1 C2 H2A 109.3 . . ?
N2 C2 H2B 109.3 . . ?
C1 C2 H2B 109.3 . . ?
H2A C2 H2B 107.9 . . ?
N2 C3 C4 112.45(16) . . ?
N2 C3 H3A 109.1 . . ?
C4 C3 H3A 109.1 . . ?
N2 C3 H3B 109.1 . . ?
C4 C3 H3B 109.1 . . ?
H3A C3 H3B 107.8 . . ?
N3 C4 C3 111.47(17) . . ?
N3 C4 Mg1 50.47(9) . . ?
C3 C4 Mg1 83.01(11) . . ?
N3 C4 H4A 109.3 . . ?
C3 C4 H4A 109.3 . . ?
Mg1 C4 H4A 159.8 . . ?
N3 C4 H4B 109.3 . . ?
C3 C4 H4B 109.3 . . ?
Mg1 C4 H4B 81.6 . . ?
H4A C4 H4B 108.0 . . ?
N3 C5 C6 112.98(16) . . ?
N3 C5 H5A 109.0 . . ?
C6 C5 H5A 109.0 . . ?
N3 C5 H5B 109.0 . . ?
C6 C5 H5B 109.0 . . ?
H5A C5 H5B 107.8 . . ?
N4 C6 C5 111.00(17) . . ?
N4 C6 H6A 109.4 . . ?
C5 C6 H6A 109.4 . . ?
N4 C6 H6B 109.4 . . ?
C5 C6 H6B 109.4 . . ?
H6A C6 H6B 108.0 . . ?
N4 C7 C8 111.76(16) . . ?
N4 C7 H7A 109.3 . . ?
C8 C7 H7A 109.3 . . ?
N4 C7 H7B 109.3 . . ?
C8 C7 H7B 109.3 . . ?
H7A C7 H7B 107.9 . . ?
N1 C8 C7 108.86(17) . . ?
N1 C8 H8A 109.9 . . ?
C7 C8 H8A 109.9 . . ?
N1 C8 H8B 109.9 . . ?
C7 C8 H8B 109.9 . . ?
H8A C8 H8B 108.3 . . ?
N2 C9 H9A 109.5 . . ?
N2 C9 H9B 109.5 . . ?
H9A C9 H9B 109.5 . . ?
N2 C9 H9C 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
N3 C10 H10A 109.5 . . ?
N3 C10 H10B 109.5 . . ?
H10A C10 H10B 109.5 . . ?
N3 C10 H10C 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
N4 C11 H11A 109.5 . . ?
N4 C11 H11B 109.5 . . ?
H11A C11 H11B 109.5 . . ?
N4 C11 H11C 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
Si1 C12 H12A 109.5 . . ?
Si1 C12 H12B 109.5 . . ?
H12A C12 H12B 109.5 . . ?
Si1 C12 H12C 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
Si1 C13 H13A 109.5 . . ?
Si1 C13 H13B 109.5 . . ?
H13A C13 H13B 109.5 . . ?
Si1 C13 H13C 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
Si2 C14 H14A 109.5 . . ?
Si2 C14 H14B 109.5 . . ?
H14A C14 H14B 109.5 . . ?
Si2 C14 H14C 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
Si2 C15 H15A 109.5 . . ?
Si2 C15 H15B 109.5 . . ?
H15A C15 H15B 109.5 . . ?
Si2 C15 H15C 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C12 Si1 N5 Si2 77.43(13) . . . . ?
C13 Si1 N5 Si2 -45.65(15) . . . . ?
Mg1 Si1 N5 Si2 177.73(17) . . . . ?
C12 Si1 N5 Mg1 -100.31(11) . . . . ?
C13 Si1 N5 Mg1 136.62(10) . . . . ?
C15 Si2 N5 Si1 78.33(14) . . . . ?
C14 Si2 N5 Si1 -45.57(15) . . . . ?
Mg1 Si2 N5 Si1 -177.55(19) . . . . ?
C15 Si2 N5 Mg1 -104.12(13) . . . . ?
C14 Si2 N5 Mg1 131.99(11) . . . . ?
C8 N1 C1 C2 174.73(16) . . . . ?
Mg1 N1 C1 C2 28.6(2) . . . . ?
C9 N2 C2 C1 167.81(16) . . . . ?
C3 N2 C2 C1 -70.4(2) . . . . ?
Mg1 N2 C2 C1 42.99(17) . . . . ?
N1 C1 C2 N2 -49.2(2) . . . . ?
C9 N2 C3 C4 -137.26(18) . . . . ?
C2 N2 C3 C4 101.84(19) . . . . ?
Mg1 N2 C3 C4 -8.69(19) . . . . ?
C10 N3 C4 C3 66.0(2) . . . . ?
C5 N3 C4 C3 -173.71(15) . . . . ?
Mg1 N3 C4 C3 -60.39(16) . . . . ?
C10 N3 C4 Mg1 126.43(17) . . . . ?
C5 N3 C4 Mg1 -113.32(15) . . . . ?
N2 C3 C4 N3 49.2(2) . . . . ?
N2 C3 C4 Mg1 6.72(14) . . . . ?
C10 N3 C5 C6 -165.51(17) . . . . ?
C4 N3 C5 C6 73.4(2) . . . . ?
Mg1 N3 C5 C6 -33.5(2) . . . . ?
C11 N4 C6 C5 83.6(2) . . . . ?
C7 N4 C6 C5 -154.48(17) . . . . ?
Mg1 N4 C6 C5 -44.36(18) . . . . ?
N3 C5 C6 N4 55.3(2) . . . . ?
C11 N4 C7 C8 -168.18(16) . . . . ?
C6 N4 C7 C8 69.2(2) . . . . ?
Mg1 N4 C7 C8 -42.08(18) . . . . ?
C1 N1 C8 C7 -170.83(16) . . . . ?
Mg1 N1 C8 C7 -25.1(2) . . . . ?
N4 C7 C8 N1 46.2(2) . . . . ?

_refine_diff_density_max         0.373
_refine_diff_density_min         -0.195
_refine_diff_density_rms         0.056

_shelxl_version_number           2013-4


#==END



_exptl_crystal_recrystallization_method 
'Re-crystallisation from solvent: pentane'
_chemical_properties_physical    
', Air-sensitive,Moisture-sensitive,Oxygen-sensitive'
