# Electronic Supplementary Material (ESI) for Dalton Transactions
# This journal is © The Royal Society of Chemistry 2012


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#  experimental, refinement, atomic coordinates, 
#  anisotropic displacement parameters and molecular geometry data,
#  as required by the journal to which it was submitted. 
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data_h11msh23
_database_code_depnum_ccdc_archive 'CCDC 895666'
#TrackingRef 'h11msh23.cif'


_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C54 H148 B6 N6 O4 Si4 Sr4'
_chemical_formula_sum            'C54 H148 B6 N6 O4 Si4 Sr4'
_chemical_formula_weight         1473.48

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'
B B 0.0013 0.0007 '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'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   'P 1 21/c 1'

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

_cell_length_a                   13.4450(3)
_cell_length_b                   15.1050(4)
_cell_length_c                   22.1862(6)
_cell_angle_alpha                90.00
_cell_angle_beta                 107.657(2)
_cell_angle_gamma                90.00
_cell_volume                     4293.45(19)
_cell_formula_units_Z            2
_cell_measurement_temperature    150(2)
_cell_measurement_reflns_used    144010
_cell_measurement_theta_min      2.910
_cell_measurement_theta_max      25.028

_exptl_crystal_description       'hexagonal prism'
_exptl_crystal_colour            colourless
_exptl_crystal_size_max          0.60
_exptl_crystal_size_mid          0.60
_exptl_crystal_size_min          0.40
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.140
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1568
_exptl_absorpt_coefficient_mu    2.564
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.3084
_exptl_absorpt_correction_T_max  0.4270
_exptl_absorpt_process_details   
;
multi-scan from symmetry-related measurements
Sortav (Blessing 1995)
;


_exptl_special_details           
;
?
;

_diffrn_ambient_temperature      150(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Nonius Kappa CCD'
_diffrn_measurement_method       '559 1.2 degree images with \f and \w scans'
_diffrn_standards_number         0
_diffrn_standards_decay_%        0
_diffrn_reflns_number            60465
_diffrn_reflns_av_R_equivalents  0.1073
_diffrn_reflns_av_sigmaI/netI    0.0519
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_theta_min         4.98
_diffrn_reflns_theta_max         25.05
_reflns_number_total             7484
_reflns_number_gt                5226
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'Collect (Nonius BV, 1997-2000)'
_computing_cell_refinement       'HKL Scalepack (Otwinski & Minor, 1997)'
_computing_data_reduction        
;
DENZO-SCALEPACK Z. Otwinowski and W. Minor, "
Processing of X-ray Diffraction Data Collected in Oscillation Mode ",
Methods in Enzymology, Volume 276: Macromolecular Crystallography,
part A, p.307-326, 1997,C.W. Carter, Jr. & R. M. Sweet, Eds., Academic Press.
;
_computing_structure_solution    
;
SIR97- Altomare A., Burla M.C., Camalli M., Cascarano G.L., Giacovazzo C. ,
Guagliardi A., Moliterni A.G.G., Polidori G.,Spagna R.
(1999) J. Appl. Cryst. 32, 115-119
;
_computing_structure_refinement  
;
SHELXL97 -Program for Crystal Structure Analysis (Release 97-2).
Sheldrick, G.M., Institut f\"ur Anorganische Chemie der Universit\"at,
Tammanstrasse 4, D-3400 G\"ottingen, Germany, 1998
;
_computing_molecular_graphics    
'ORTEP3 for Windows - Farrugia, L. J. J. Appl. Crystallogr. 1997, 30, 565'

_computing_publication_material  
;
'WinGX publication routines, Farrugia,
L. J., J. Appl. Crystallogr., 1999, 32, 837-838
;

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

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[\s^2^(Fo^2^)+(0.0216P)^2^+11.9572P] where P=(Fo^2^+2Fc^2^)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         7484
_refine_ls_number_parameters     496
_refine_ls_number_restraints     1
_refine_ls_R_factor_all          0.0926
_refine_ls_R_factor_gt           0.0525
_refine_ls_wR_factor_ref         0.1253
_refine_ls_wR_factor_gt          0.1041
_refine_ls_goodness_of_fit_ref   1.113
_refine_ls_restrained_S_all      1.113
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Sr1 Sr -0.17070(4) 0.29992(3) 0.41626(2) 0.04423(15) Uani 1 1 d . . .
Sr2 Sr 0.14147(4) 0.40029(3) 0.54122(2) 0.04380(15) Uani 1 1 d . . .
N1 N -0.2463(4) 0.3952(3) 0.3147(2) 0.0485(11) Uani 1 1 d D A .
H1 H -0.3134(17) 0.385(3) 0.303(2) 0.027(12) Uiso 1 1 d D . .
N2 N -0.0172(6) 0.2198(6) 0.3871(4) 0.055(2) Uani 0.676(13) 1 d P A 1
H20A H -0.0063 0.2526 0.3542 0.066 Uiso 0.676(13) 1 calc PR A 1
C14 C -0.0026(10) 0.0738(6) 0.4369(5) 0.085(4) Uani 0.676(13) 1 d P A 1
H14A H 0.0503 0.0932 0.4757 0.128 Uiso 0.676(13) 1 calc PR A 1
H14B H 0.0056 0.0104 0.4306 0.128 Uiso 0.676(13) 1 calc PR A 1
H14C H -0.0723 0.0851 0.4405 0.128 Uiso 0.676(13) 1 calc PR A 1
N2A N -0.0210(12) 0.1803(11) 0.4195(9) 0.049(5) Uani 0.324(13) 1 d P A 2
H20B H -0.0179 0.1437 0.4537 0.058 Uiso 0.324(13) 1 calc PR A 2
C14A C 0.022(2) 0.2000(15) 0.3206(11) 0.103(10) Uani 0.324(13) 1 d P A 2
H14D H -0.0447 0.2306 0.3026 0.155 Uiso 0.324(13) 1 calc PR A 2
H14E H 0.0400 0.1675 0.2871 0.155 Uiso 0.324(13) 1 calc PR A 2
H14F H 0.0767 0.2436 0.3394 0.155 Uiso 0.324(13) 1 calc PR A 2
N3 N 0.1380(4) 0.4971(3) 0.4405(2) 0.0575(12) Uani 1 1 d . . .
H3 H 0.0809 0.4737 0.4096 0.069 Uiso 1 1 calc R A .
B1 B -0.2193(6) 0.4728(4) 0.3606(3) 0.0499(15) Uani 1 1 d . . .
H1D H -0.255(3) 0.463(3) 0.400(2) 0.040(12) Uiso 1 1 d . . .
H1E H -0.249(4) 0.542(4) 0.341(2) 0.060(15) Uiso 1 1 d . . .
H1F H -0.132(4) 0.480(3) 0.377(2) 0.049(14) Uiso 1 1 d . . .
B2 B 0.0470(6) 0.2678(5) 0.4494(4) 0.063(2) Uani 1 1 d . A .
H2E H 0.124(5) 0.264(3) 0.463(3) 0.057(16) Uiso 1 1 d . . .
H2D H 0.020(4) 0.261(3) 0.489(2) 0.041(13) Uiso 1 1 d . . .
H2F H 0.024(4) 0.331(4) 0.435(2) 0.056(15) Uiso 1 1 d . . .
B3 B 0.0921(5) 0.5812(4) 0.4599(3) 0.0411(13) Uani 1 1 d . . .
H3D H 0.052(3) 0.569(3) 0.498(2) 0.031(11) Uiso 1 1 d . . .
H3E H 0.151(4) 0.631(3) 0.477(2) 0.043(13) Uiso 1 1 d . . .
H3F H 0.026(4) 0.608(4) 0.424(3) 0.071(17) Uiso 1 1 d . . .
Si1 Si -0.30093(16) 0.12588(12) 0.48306(9) 0.0700(5) Uani 1 1 d . A .
Si2 Si -0.45826(15) 0.22408(16) 0.36882(10) 0.0828(6) Uani 1 1 d . . .
C1 C -0.3399(5) 0.2220(5) 0.4329(4) 0.0647(17) Uani 1 1 d . A .
H1A H -0.349(6) 0.265(5) 0.457(3) 0.09(3) Uiso 1 1 d . . .
C2 C -0.3874(7) 0.0913(7) 0.5315(4) 0.123(3) Uani 1 1 d . . .
H2A H -0.3856 0.1367 0.5634 0.185 Uiso 1 1 calc R A .
H2B H -0.3624 0.0350 0.5527 0.185 Uiso 1 1 calc R . .
H2C H -0.4591 0.0841 0.5038 0.185 Uiso 1 1 calc R . .
C3 C -0.2912(8) 0.0247(5) 0.4351(4) 0.120(3) Uani 1 1 d . . .
H3A H -0.3605 0.0096 0.4068 0.179 Uiso 1 1 calc R A .
H3B H -0.2638 -0.0251 0.4637 0.179 Uiso 1 1 calc R . .
H3C H -0.2441 0.0371 0.4100 0.179 Uiso 1 1 calc R . .
C4 C -0.1712(5) 0.1451(4) 0.5442(3) 0.078(2) Uani 1 1 d . . .
H4A H -0.1167 0.1497 0.5234 0.117 Uiso 1 1 calc R A .
H4B H -0.1554 0.0955 0.5741 0.117 Uiso 1 1 calc R . .
H4C H -0.1738 0.2001 0.5671 0.117 Uiso 1 1 calc R . .
C5 C -0.5769(6) 0.1714(6) 0.3807(4) 0.104(3) Uani 1 1 d . A .
H5A H -0.5633 0.1084 0.3903 0.157 Uiso 1 1 calc R . .
H5B H -0.6359 0.1778 0.3421 0.157 Uiso 1 1 calc R . .
H5C H -0.5935 0.2004 0.4160 0.157 Uiso 1 1 calc R . .
C6 C -0.5011(6) 0.3410(7) 0.3460(6) 0.156(5) Uani 1 1 d . A .
H6A H -0.5476 0.3607 0.3698 0.234 Uiso 1 1 calc R . .
H6B H -0.5382 0.3436 0.3006 0.234 Uiso 1 1 calc R . .
H6C H -0.4397 0.3797 0.3557 0.234 Uiso 1 1 calc R . .
C7 C -0.4425(8) 0.1684(9) 0.2987(4) 0.151(5) Uani 1 1 d . A .
H7A H -0.3842 0.1953 0.2874 0.227 Uiso 1 1 calc R . .
H7B H -0.5067 0.1749 0.2633 0.227 Uiso 1 1 calc R . .
H7C H -0.4282 0.1054 0.3079 0.227 Uiso 1 1 calc R . .
C8 C -0.2217(5) 0.4022(4) 0.2536(2) 0.0582(15) Uani 1 1 d . . .
C9 C -0.2442(6) 0.3118(4) 0.2213(3) 0.083(2) Uani 1 1 d . A .
H9A H -0.2032 0.2663 0.2496 0.124 Uiso 1 1 calc R . .
H9B H -0.2252 0.3129 0.1820 0.124 Uiso 1 1 calc R . .
H9C H -0.3187 0.2982 0.2117 0.124 Uiso 1 1 calc R . .
C10 C -0.2910(6) 0.4727(5) 0.2107(3) 0.086(2) Uani 1 1 d . A .
H10A H -0.3646 0.4575 0.2033 0.128 Uiso 1 1 calc R . .
H10B H -0.2759 0.4747 0.1702 0.128 Uiso 1 1 calc R . .
H10C H -0.2767 0.5307 0.2313 0.128 Uiso 1 1 calc R . .
C11 C -0.1080(5) 0.4251(5) 0.2667(3) 0.0746(19) Uani 1 1 d . A .
H11A H -0.0956 0.4856 0.2833 0.112 Uiso 1 1 calc R . .
H11B H -0.0893 0.4211 0.2274 0.112 Uiso 1 1 calc R . .
H11C H -0.0652 0.3837 0.2979 0.112 Uiso 1 1 calc R . .
C12 C 0.0117(6) 0.1282(4) 0.3771(3) 0.0725(19) Uani 1 1 d . . .
C13 C -0.0666(8) 0.0835(6) 0.3257(5) 0.132(4) Uani 1 1 d . A .
H13A H -0.1359 0.0928 0.3305 0.199 Uiso 1 1 calc R . .
H13B H -0.0513 0.0200 0.3271 0.199 Uiso 1 1 calc R . .
H13C H -0.0650 0.1078 0.2850 0.199 Uiso 1 1 calc R . .
C15 C 0.1239(7) 0.1114(6) 0.3831(5) 0.121(3) Uani 1 1 d . A .
H15A H 0.1409 0.1385 0.3473 0.182 Uiso 1 1 calc R . .
H15B H 0.1363 0.0474 0.3832 0.182 Uiso 1 1 calc R . .
H15C H 0.1682 0.1371 0.4227 0.182 Uiso 1 1 calc R . .
C16 C 0.2160(5) 0.5080(4) 0.4055(3) 0.0597(15) Uani 1 1 d . A .
C17 C 0.2213(8) 0.4196(6) 0.3740(5) 0.130(4) Uani 1 1 d . . .
H17A H 0.2400 0.3730 0.4062 0.195 Uiso 1 1 calc R A .
H17B H 0.2741 0.4225 0.3518 0.195 Uiso 1 1 calc R . .
H17C H 0.1531 0.4062 0.3436 0.195 Uiso 1 1 calc R . .
C18 C 0.3183(5) 0.5304(5) 0.4519(3) 0.083(2) Uani 1 1 d . . .
H18A H 0.3127 0.5871 0.4721 0.125 Uiso 1 1 calc R A .
H18B H 0.3714 0.5350 0.4300 0.125 Uiso 1 1 calc R . .
H18C H 0.3382 0.4839 0.4841 0.125 Uiso 1 1 calc R . .
C19 C 0.1852(7) 0.5811(6) 0.3558(4) 0.109(3) Uani 1 1 d . . .
H19A H 0.1153 0.5691 0.3271 0.164 Uiso 1 1 calc R A .
H19B H 0.2354 0.5828 0.3317 0.164 Uiso 1 1 calc R . .
H19C H 0.1852 0.6382 0.3767 0.164 Uiso 1 1 calc R . .
O1 O 0.3261(3) 0.3396(3) 0.5628(2) 0.0740(12) Uani 1 1 d . . .
C23 C 0.5031(6) 0.3085(7) 0.6140(5) 0.104(3) Uani 1 1 d . . .
H23A H 0.5725 0.3366 0.6310 0.125 Uiso 0.518(14) 1 calc PR A 1
H23B H 0.5015 0.2530 0.6374 0.125 Uiso 0.518(14) 1 calc PR A 1
H23C H 0.5519 0.3217 0.6564 0.125 Uiso 0.482(14) 1 calc PR A 2
H23D H 0.5425 0.3064 0.5828 0.125 Uiso 0.482(14) 1 calc PR A 2
C21 C 0.3676(10) 0.2884(11) 0.5208(7) 0.080(5) Uani 0.518(14) 1 d P A 1
H21A H 0.3437 0.2262 0.5191 0.096 Uiso 0.518(14) 1 calc PR A 1
H21B H 0.3442 0.3134 0.4776 0.096 Uiso 0.518(14) 1 calc PR A 1
C22 C 0.4764(13) 0.293(2) 0.5455(11) 0.194(16) Uani 0.518(14) 1 d P A 1
H22A H 0.5036 0.3415 0.5251 0.233 Uiso 0.518(14) 1 calc PR A 1
H22B H 0.5080 0.2366 0.5373 0.233 Uiso 0.518(14) 1 calc PR A 1
C24 C 0.415(2) 0.372(3) 0.6162(16) 0.096(10) Uani 0.518(14) 1 d P A 1
H24A H 0.3993 0.3669 0.6569 0.116 Uiso 0.518(14) 1 calc PR A 1
H24B H 0.4326 0.4338 0.6097 0.116 Uiso 0.518(14) 1 calc PR A 1
C21A C 0.3465(12) 0.2401(9) 0.5622(8) 0.074(5) Uani 0.482(14) 1 d P A 2
H21C H 0.2879 0.2065 0.5693 0.089 Uiso 0.482(14) 1 calc PR A 2
H21D H 0.3545 0.2221 0.5210 0.089 Uiso 0.482(14) 1 calc PR A 2
C22A C 0.4446(11) 0.2231(10) 0.6142(9) 0.094(7) Uani 0.482(14) 1 d P A 2
H22C H 0.4828 0.1715 0.6048 0.113 Uiso 0.482(14) 1 calc PR A 2
H22D H 0.4309 0.2137 0.6551 0.113 Uiso 0.482(14) 1 calc PR A 2
C24A C 0.420(3) 0.372(2) 0.596(2) 0.117(16) Uani 0.482(14) 1 d P A 2
H24C H 0.4133 0.3998 0.6350 0.140 Uiso 0.482(14) 1 calc PR A 2
H24D H 0.4398 0.4186 0.5707 0.140 Uiso 0.482(14) 1 calc PR A 2
O2 O 0.1586(3) 0.2777(3) 0.6269(2) 0.0698(12) Uani 1 1 d . . .
C31 C 0.1264(18) 0.2869(9) 0.6811(7) 0.099(6) Uani 0.590(16) 1 d P A 1
H31A H 0.1595 0.3399 0.7051 0.119 Uiso 0.590(16) 1 calc PR A 1
H31B H 0.0498 0.2948 0.6686 0.119 Uiso 0.590(16) 1 calc PR A 1
C32 C 0.154(4) 0.215(4) 0.718(2) 0.20(3) Uani 0.590(16) 1 d P A 1
H32A H 0.0914 0.1864 0.7244 0.236 Uiso 0.590(16) 1 calc PR A 1
H32B H 0.2032 0.2302 0.7593 0.236 Uiso 0.590(16) 1 calc PR A 1
C33 C 0.207(3) 0.1502(13) 0.6798(12) 0.191(16) Uani 0.590(16) 1 d P A 1
H33A H 0.2826 0.1444 0.7020 0.229 Uiso 0.590(16) 1 calc PR A 1
H33B H 0.1747 0.0907 0.6756 0.229 Uiso 0.590(16) 1 calc PR A 1
C34 C 0.1901(17) 0.1899(8) 0.6191(7) 0.110(7) Uani 0.590(16) 1 d P A 1
H34A H 0.2550 0.1897 0.6069 0.133 Uiso 0.590(16) 1 calc PR A 1
H34B H 0.1349 0.1581 0.5864 0.133 Uiso 0.590(16) 1 calc PR A 1
C31A C 0.083(2) 0.2087(16) 0.6304(10) 0.117(12) Uani 0.410(16) 1 d P A 2
H31C H 0.0114 0.2273 0.6065 0.141 Uiso 0.410(16) 1 calc PR A 2
H31D H 0.0988 0.1528 0.6118 0.141 Uiso 0.410(16) 1 calc PR A 2
C32A C 0.091(3) 0.197(3) 0.6924(17) 0.126(15) Uani 0.410(16) 1 d P A 2
H32C H 0.0623 0.1384 0.6989 0.152 Uiso 0.410(16) 1 calc PR A 2
H32D H 0.0531 0.2436 0.7074 0.152 Uiso 0.410(16) 1 calc PR A 2
C33A C 0.202(4) 0.201(3) 0.726(3) 0.15(3) Uani 0.410(16) 1 d P A 2
H33C H 0.2155 0.2138 0.7715 0.185 Uiso 0.410(16) 1 calc PR A 2
H33D H 0.2388 0.1461 0.7208 0.185 Uiso 0.410(16) 1 calc PR A 2
C34A C 0.227(3) 0.274(2) 0.6923(10) 0.134(13) Uani 0.410(16) 1 d P A 2
H34C H 0.3000 0.2690 0.6925 0.161 Uiso 0.410(16) 1 calc PR A 2
H34D H 0.2194 0.3298 0.7141 0.161 Uiso 0.410(16) 1 calc PR A 2

loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_23
_atom_site_aniso_U_13
_atom_site_aniso_U_12
Sr1 0.0495(3) 0.0365(3) 0.0445(3) -0.0019(2) 0.0109(2) -0.0047(2)
Sr2 0.0468(3) 0.0397(3) 0.0440(3) -0.0027(2) 0.0124(2) -0.0014(2)
N1 0.053(3) 0.048(3) 0.042(2) -0.004(2) 0.011(2) -0.009(2)
N2 0.071(5) 0.043(5) 0.053(5) -0.004(4) 0.020(4) 0.003(4)
C14 0.130(10) 0.047(6) 0.083(8) 0.005(5) 0.039(7) 0.012(6)
N2A 0.064(10) 0.028(8) 0.054(11) -0.012(7) 0.018(8) -0.007(7)
C14A 0.18(3) 0.073(16) 0.069(15) -0.014(12) 0.056(16) -0.029(17)
N3 0.069(3) 0.056(3) 0.054(3) -0.006(2) 0.028(2) -0.005(2)
B1 0.058(4) 0.049(4) 0.041(3) 0.002(3) 0.011(3) -0.001(3)
B2 0.054(5) 0.059(5) 0.071(5) -0.028(4) 0.011(4) 0.003(4)
B3 0.044(3) 0.035(3) 0.041(3) -0.001(3) 0.008(3) -0.003(3)
Si1 0.0876(13) 0.0541(10) 0.0670(11) 0.0016(9) 0.0213(10) -0.0197(9)
Si2 0.0611(12) 0.1070(17) 0.0770(13) 0.0183(12) 0.0161(10) -0.0171(11)
C1 0.058(4) 0.058(4) 0.080(5) 0.002(4) 0.023(3) -0.012(3)
C2 0.124(7) 0.159(9) 0.084(6) 0.023(6) 0.029(5) -0.057(7)
C3 0.160(9) 0.060(5) 0.117(7) -0.018(5) 0.007(6) -0.005(5)
C4 0.097(5) 0.056(4) 0.076(5) 0.003(3) 0.020(4) -0.002(4)
C5 0.079(5) 0.135(7) 0.095(6) 0.001(5) 0.021(4) -0.040(5)
C6 0.063(5) 0.150(9) 0.243(13) 0.106(9) 0.029(7) 0.009(5)
C7 0.131(8) 0.235(13) 0.079(6) -0.010(7) 0.018(6) -0.052(9)
C8 0.083(4) 0.050(3) 0.039(3) -0.002(3) 0.016(3) -0.008(3)
C9 0.129(6) 0.071(5) 0.055(4) -0.021(3) 0.038(4) -0.026(4)
C10 0.113(6) 0.088(5) 0.048(4) 0.012(4) 0.012(4) 0.003(4)
C11 0.094(5) 0.074(5) 0.065(4) -0.002(3) 0.039(4) -0.007(4)
C12 0.085(5) 0.053(4) 0.078(5) -0.021(3) 0.021(4) 0.009(3)
C13 0.177(10) 0.092(6) 0.124(8) -0.066(6) 0.040(7) -0.016(6)
C15 0.115(7) 0.093(6) 0.167(9) -0.039(6) 0.061(7) 0.020(5)
C16 0.063(4) 0.068(4) 0.056(4) -0.011(3) 0.030(3) -0.005(3)
C17 0.148(8) 0.128(8) 0.157(9) -0.076(7) 0.112(7) -0.037(6)
C18 0.063(4) 0.100(6) 0.094(5) 0.006(4) 0.035(4) -0.002(4)
C19 0.113(6) 0.159(8) 0.075(5) 0.037(5) 0.058(5) 0.011(6)
O1 0.054(3) 0.078(3) 0.085(3) -0.011(3) 0.014(2) 0.010(2)
C23 0.059(5) 0.125(7) 0.121(7) 0.033(6) 0.013(4) 0.019(5)
C21 0.057(8) 0.095(12) 0.086(10) -0.011(9) 0.016(7) 0.012(7)
C22 0.057(11) 0.37(4) 0.143(19) -0.13(2) 0.009(11) 0.047(16)
C24 0.054(12) 0.14(2) 0.068(12) -0.019(11) -0.022(8) 0.049(13)
C21A 0.084(11) 0.061(9) 0.075(11) -0.001(8) 0.022(8) 0.009(8)
C22A 0.061(9) 0.069(10) 0.150(17) 0.049(10) 0.027(10) 0.026(8)
C24A 0.10(2) 0.070(16) 0.16(4) -0.003(19) 0.01(2) -0.005(14)
O2 0.082(3) 0.057(3) 0.068(3) 0.014(2) 0.018(2) -0.005(2)
C31 0.160(18) 0.078(9) 0.071(9) 0.025(8) 0.052(11) 0.015(10)
C32 0.22(6) 0.27(5) 0.12(3) 0.14(3) 0.08(4) 0.11(4)
C33 0.35(4) 0.078(13) 0.105(16) 0.009(12) 0.00(2) 0.059(17)
C34 0.163(18) 0.046(7) 0.096(11) 0.019(7) -0.001(10) 0.035(9)
C31A 0.12(2) 0.113(19) 0.088(16) 0.030(13) -0.012(13) -0.079(17)
C32A 0.10(2) 0.15(3) 0.10(3) 0.07(2) 0.008(17) -0.04(2)
C33A 0.16(4) 0.12(3) 0.13(3) 0.08(3) -0.05(3) -0.01(3)
C34A 0.13(2) 0.15(2) 0.075(14) 0.049(14) -0.033(14) -0.08(2)

_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 2.606(4) . ?
Sr1 N2 2.636(7) . ?
Sr1 C1 2.685(6) . ?
Sr1 N2A 2.689(15) . ?
Sr1 B2 2.835(8) . ?
Sr1 B1 2.877(7) . ?
Sr1 B3 3.183(6) 3_566 ?
Sr1 Si1 3.7078(18) . ?
Sr1 Sr2 4.5323(7) . ?
Sr1 Sr2 4.6180(7) 3_566 ?
Sr1 H1 2.95(4) . ?
Sr1 H1D 2.69(4) . ?
Sr1 H1F 2.95(5) . ?
Sr1 H2D 2.65(5) . ?
Sr1 H2F 2.56(5) . ?
Sr1 H1A 2.85(7) . ?
Sr2 O1 2.551(4) . ?
Sr2 O2 2.613(4) . ?
Sr2 N3 2.659(5) . ?
Sr2 B1 2.852(6) 3_566 ?
Sr2 B2 2.863(7) . ?
Sr2 B3 3.146(6) 3_566 ?
Sr2 B3 3.230(6) . ?
Sr2 Sr1 4.6180(7) 3_566 ?
Sr2 Sr2 4.7614(10) 3_566 ?
Sr2 H2E 2.66(5) . ?
Sr2 H2D 2.70(5) . ?
Sr2 H2F 2.63(5) . ?
Sr2 H3D 2.86(4) . ?
N1 C8 1.493(7) . ?
N1 B1 1.521(8) . ?
N1 H1 0.874(19) . ?
N2 C12 1.472(10) . ?
N2 B2 1.567(10) . ?
N2 H20A 0.9300 . ?
C14 C12 1.619(12) . ?
C14 H14A 0.9800 . ?
C14 H14B 0.9800 . ?
C14 H14C 0.9800 . ?
N2A C12 1.395(16) . ?
N2A B2 1.630(15) . ?
N2A H20B 0.9300 . ?
C14A C12 1.69(2) . ?
C14A H14D 0.9800 . ?
C14A H14E 0.9800 . ?
C14A H14F 0.9800 . ?
N3 C16 1.492(7) . ?
N3 B3 1.529(7) . ?
N3 H3 0.9300 . ?
B1 Sr2 2.852(6) 3_566 ?
B1 H1D 1.12(5) . ?
B1 H1E 1.15(5) . ?
B1 H1F 1.12(5) . ?
B2 H2E 0.99(6) . ?
B2 H2D 1.05(5) . ?
B2 H2F 1.03(6) . ?
B3 Sr2 3.146(6) 3_566 ?
B3 Sr1 3.183(6) 3_566 ?
B3 H3D 1.15(4) . ?
B3 H3E 1.08(5) . ?
B3 H3F 1.07(6) . ?
Si1 C1 1.807(7) . ?
Si1 C4 1.880(7) . ?
Si1 C2 1.881(8) . ?
Si1 C3 1.889(8) . ?
Si2 C1 1.784(7) . ?
Si2 C7 1.837(10) . ?
Si2 C5 1.872(7) . ?
Si2 C6 1.879(9) . ?
C1 H1A 0.86(7) . ?
C2 H2A 0.9800 . ?
C2 H2B 0.9800 . ?
C2 H2C 0.9800 . ?
C3 H3A 0.9800 . ?
C3 H3B 0.9800 . ?
C3 H3C 0.9800 . ?
C4 H4A 0.9800 . ?
C4 H4B 0.9800 . ?
C4 H4C 0.9800 . ?
C5 H5A 0.9800 . ?
C5 H5B 0.9800 . ?
C5 H5C 0.9800 . ?
C6 H6A 0.9800 . ?
C6 H6B 0.9800 . ?
C6 H6C 0.9800 . ?
C7 H7A 0.9800 . ?
C7 H7B 0.9800 . ?
C7 H7C 0.9800 . ?
C8 C11 1.507(9) . ?
C8 C9 1.529(8) . ?
C8 C10 1.539(8) . ?
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 C13 1.462(10) . ?
C12 C15 1.496(10) . ?
C13 H13A 0.9800 . ?
C13 H13B 0.9800 . ?
C13 H13C 0.9800 . ?
C15 H15A 0.9800 . ?
C15 H15B 0.9800 . ?
C15 H15C 0.9800 . ?
C16 C18 1.484(9) . ?
C16 C17 1.520(9) . ?
C16 C19 1.526(9) . ?
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 . ?
O1 C24A 1.35(4) . ?
O1 C21 1.446(14) . ?
O1 C24 1.49(3) . ?
O1 C21A 1.528(14) . ?
C23 C24A 1.43(4) . ?
C23 C22 1.47(2) . ?
C23 C22A 1.511(16) . ?
C23 C24 1.53(4) . ?
C23 H23A 0.9900 . ?
C23 H23B 0.9900 . ?
C23 H23C 0.9900 . ?
C23 H23D 0.9900 . ?
C21 C22 1.40(2) . ?
C21 H21A 0.9900 . ?
C21 H21B 0.9900 . ?
C22 H22A 0.9900 . ?
C22 H22B 0.9900 . ?
C24 H24A 0.9900 . ?
C24 H24B 0.9900 . ?
C21A C22A 1.49(2) . ?
C21A H21C 0.9900 . ?
C21A H21D 0.9900 . ?
C22A H22C 0.9900 . ?
C22A H22D 0.9900 . ?
C24A H24C 0.9900 . ?
C24A H24D 0.9900 . ?
O2 C31 1.402(13) . ?
O2 C34 1.419(12) . ?
O2 C34A 1.462(19) . ?
O2 C31A 1.474(18) . ?
C31 C32 1.34(4) . ?
C31 H31A 0.9900 . ?
C31 H31B 0.9900 . ?
C32 C33 1.59(5) . ?
C32 H32A 0.9900 . ?
C32 H32B 0.9900 . ?
C33 C34 1.43(2) . ?
C33 H33A 0.9900 . ?
C33 H33B 0.9900 . ?
C34 H34A 0.9900 . ?
C34 H34B 0.9900 . ?
C31A C32A 1.36(4) . ?
C31A H31C 0.9900 . ?
C31A H31D 0.9900 . ?
C32A C33A 1.45(7) . ?
C32A H32C 0.9900 . ?
C32A H32D 0.9900 . ?
C33A C34A 1.43(5) . ?
C33A H33C 0.9900 . ?
C33A H33D 0.9900 . ?
C34A H34C 0.9900 . ?
C34A H34D 0.9900 . ?

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 N2 99.8(3) . . ?
N1 Sr1 C1 103.70(18) . . ?
N2 Sr1 C1 126.3(3) . . ?
N1 Sr1 N2A 119.1(5) . . ?
N2 Sr1 N2A 20.4(3) . . ?
C1 Sr1 N2A 111.1(4) . . ?
N1 Sr1 B2 114.8(2) . . ?
N2 Sr1 B2 33.0(2) . . ?
C1 Sr1 B2 137.8(2) . . ?
N2A Sr1 B2 34.2(3) . . ?
N1 Sr1 B1 31.73(16) . . ?
N2 Sr1 B1 113.8(3) . . ?
C1 Sr1 B1 111.4(2) . . ?
N2A Sr1 B1 133.8(5) . . ?
B2 Sr1 B1 110.4(2) . . ?
N1 Sr1 B3 112.00(14) . 3_566 ?
N2 Sr1 B3 113.03(19) . 3_566 ?
C1 Sr1 B3 101.6(2) . 3_566 ?
N2A Sr1 B3 107.9(3) . 3_566 ?
B2 Sr1 B3 80.01(18) . 3_566 ?
B1 Sr1 B3 80.27(17) . 3_566 ?
N1 Sr1 Si1 129.02(11) . . ?
N2 Sr1 Si1 105.8(2) . . ?
C1 Sr1 Si1 27.30(15) . . ?
N2A Sr1 Si1 87.3(4) . . ?
B2 Sr1 Si1 110.5(2) . . ?
B1 Sr1 Si1 137.88(15) . . ?
B3 Sr1 Si1 97.37(12) 3_566 . ?
N1 Sr1 Sr2 112.95(10) . . ?
N2 Sr1 Sr2 69.82(16) . . ?
C1 Sr1 Sr2 136.76(16) . . ?
N2A Sr1 Sr2 70.2(3) . . ?
B2 Sr1 Sr2 37.52(14) . . ?
B1 Sr1 Sr2 90.37(14) . . ?
B3 Sr1 Sr2 43.94(11) 3_566 . ?
Si1 Sr1 Sr2 117.04(3) . . ?
N1 Sr1 Sr2 67.76(10) . 3_566 ?
N2 Sr1 Sr2 118.4(2) . 3_566 ?
C1 Sr1 Sr2 115.15(16) . 3_566 ?
N2A Sr1 Sr2 129.6(3) . 3_566 ?
B2 Sr1 Sr2 95.60(16) . 3_566 ?
B1 Sr1 Sr2 36.10(13) . 3_566 ?
B3 Sr1 Sr2 44.35(11) 3_566 3_566 ?
Si1 Sr1 Sr2 129.41(3) . 3_566 ?
Sr2 Sr1 Sr2 62.704(12) . 3_566 ?
N1 Sr1 H1 16.7(5) . . ?
N2 Sr1 H1 110.2(8) . . ?
C1 Sr1 H1 87.0(6) . . ?
N2A Sr1 H1 127.0(9) . . ?
B2 Sr1 H1 130.4(6) . . ?
B1 Sr1 H1 40.3(7) . . ?
B3 Sr1 H1 116.8(8) 3_566 . ?
Si1 Sr1 H1 112.6(6) . . ?
Sr2 Sr1 H1 128.2(6) . . ?
Sr2 Sr1 H1 75.0(8) 3_566 . ?
N1 Sr1 H1D 48.5(10) . . ?
N2 Sr1 H1D 135.8(10) . . ?
C1 Sr1 H1D 94.5(10) . . ?
N2A Sr1 H1D 154.2(11) . . ?
B2 Sr1 H1D 123.6(10) . . ?
B1 Sr1 H1D 23.0(10) . . ?
B3 Sr1 H1D 67.6(10) 3_566 . ?
Si1 Sr1 H1D 118.2(10) . . ?
Sr2 Sr1 H1D 93.0(9) . . ?
Sr2 Sr1 H1D 30.4(9) 3_566 . ?
H1 Sr1 H1D 49.3(13) . . ?
N1 Sr1 H1F 45.0(9) . . ?
N2 Sr1 H1F 97.6(10) . . ?
C1 Sr1 H1F 132.6(10) . . ?
N2A Sr1 H1F 115.6(11) . . ?
B2 Sr1 H1F 88.6(10) . . ?
B1 Sr1 H1F 22.1(9) . . ?
B3 Sr1 H1F 72.0(9) 3_566 . ?
Si1 Sr1 H1F 156.6(9) . . ?
Sr2 Sr1 H1F 70.1(10) . . ?
Sr2 Sr1 H1F 31.1(9) 3_566 . ?
H1 Sr1 H1F 58.4(12) . . ?
H1D Sr1 H1F 38.7(13) . . ?
N1 Sr1 H2D 134.5(11) . . ?
N2 Sr1 H2D 50.4(11) . . ?
C1 Sr1 H2D 121.5(11) . . ?
N2A Sr1 H2D 41.9(11) . . ?
B2 Sr1 H2D 21.8(10) . . ?
B1 Sr1 H2D 121.0(10) . . ?
B3 Sr1 H2D 66.0(11) 3_566 . ?
Si1 Sr1 H2D 94.9(10) . . ?
Sr2 Sr1 H2D 32.4(10) . . ?
Sr2 Sr1 H2D 95.0(10) 3_566 . ?
H1 Sr1 H2D 151.0(12) . . ?
H1D Sr1 H2D 125.4(14) . . ?
H1F Sr1 H2D 99.3(14) . . ?
N1 Sr1 H2F 98.5(12) . . ?
N2 Sr1 H2F 44.7(13) . . ?
C1 Sr1 H2F 157.6(13) . . ?
N2A Sr1 H2F 53.3(14) . . ?
B2 Sr1 H2F 21.3(13) . . ?
B1 Sr1 H2F 89.3(13) . . ?
B3 Sr1 H2F 72.6(12) 3_566 . ?
Si1 Sr1 H2F 130.5(13) . . ?
Sr2 Sr1 H2F 29.5(12) . . ?
Sr2 Sr1 H2F 76.4(13) 3_566 . ?
H1 Sr1 H2F 115.1(14) . . ?
H1D Sr1 H2F 102.7(16) . . ?
H1F Sr1 H2F 67.3(17) . . ?
H2D Sr1 H2F 36.1(15) . . ?
N1 Sr1 H1A 103.3(15) . . ?
N2 Sr1 H1A 141.8(15) . . ?
C1 Sr1 H1A 17.6(14) . . ?
N2A Sr1 H1A 124.0(15) . . ?
B2 Sr1 H1A 141.9(15) . . ?
B1 Sr1 H1A 101.6(15) . . ?
B3 Sr1 H1A 85.7(15) 3_566 . ?
Si1 Sr1 H1A 36.7(15) . . ?
Sr2 Sr1 H1A 125.5(15) . . ?
Sr2 Sr1 H1A 98.4(15) 3_566 . ?
H1 Sr1 H1A 87.5(16) . . ?
H1D Sr1 H1A 81.5(18) . . ?
H1F Sr1 H1A 120.2(18) . . ?
H2D Sr1 H1A 121.2(18) . . ?
H2F Sr1 H1A 153.8(19) . . ?
O1 Sr2 O2 75.13(15) . . ?
O1 Sr2 N3 97.08(15) . . ?
O2 Sr2 N3 167.49(14) . . ?
O1 Sr2 B1 89.30(18) . 3_566 ?
O2 Sr2 B1 89.41(16) . 3_566 ?
N3 Sr2 B1 100.41(17) . 3_566 ?
O1 Sr2 B2 94.52(19) . . ?
O2 Sr2 B2 86.8(2) . . ?
N3 Sr2 B2 84.0(2) . . ?
B1 Sr2 B2 173.8(2) 3_566 . ?
O1 Sr2 B3 161.03(16) . 3_566 ?
O2 Sr2 B3 86.34(15) . 3_566 ?
N3 Sr2 B3 100.43(15) . 3_566 ?
B1 Sr2 B3 94.60(18) 3_566 3_566 ?
B2 Sr2 B3 80.2(2) . 3_566 ?
O1 Sr2 B3 115.58(16) . . ?
O2 Sr2 B3 164.44(15) . . ?
N3 Sr2 B3 28.00(14) . . ?
B1 Sr2 B3 79.82(17) 3_566 . ?
B2 Sr2 B3 102.8(2) . . ?
B3 Sr2 B3 83.39(17) 3_566 . ?
O1 Sr2 Sr1 131.47(11) . . ?
O2 Sr2 Sr1 93.95(10) . . ?
N3 Sr2 Sr1 83.85(11) . . ?
B1 Sr2 Sr1 138.52(15) 3_566 . ?
B2 Sr2 Sr1 37.09(16) . . ?
B3 Sr2 Sr1 44.58(11) 3_566 . ?
B3 Sr2 Sr1 86.91(11) . . ?
O1 Sr2 Sr1 107.23(11) . 3_566 ?
O2 Sr2 Sr1 124.25(10) . 3_566 ?
N3 Sr2 Sr1 67.10(10) . 3_566 ?
B1 Sr2 Sr1 36.47(13) 3_566 3_566 ?
B2 Sr2 Sr1 145.34(19) . 3_566 ?
B3 Sr2 Sr1 86.40(11) 3_566 3_566 ?
B3 Sr2 Sr1 43.53(11) . 3_566 ?
Sr1 Sr2 Sr1 117.296(12) . 3_566 ?
O1 Sr2 Sr2 156.60(11) . 3_566 ?
O2 Sr2 Sr2 127.69(10) . 3_566 ?
N3 Sr2 Sr2 61.36(10) . 3_566 ?
B1 Sr2 Sr2 86.17(14) 3_566 3_566 ?
B2 Sr2 Sr2 92.20(17) . 3_566 ?
B3 Sr2 Sr2 42.37(11) 3_566 3_566 ?
B3 Sr2 Sr2 41.02(11) . 3_566 ?
Sr1 Sr2 Sr2 59.528(12) . 3_566 ?
Sr1 Sr2 Sr2 57.768(12) 3_566 3_566 ?
O1 Sr2 H2E 74.5(13) . . ?
O2 Sr2 H2E 84.3(11) . . ?
N3 Sr2 H2E 84.2(11) . . ?
B1 Sr2 H2E 163.6(13) 3_566 . ?
B2 Sr2 H2E 20.2(12) . . ?
B3 Sr2 H2E 100.0(13) 3_566 . ?
B3 Sr2 H2E 109.0(11) . . ?
Sr1 Sr2 H2E 57.3(13) . . ?
Sr1 Sr2 H2E 151.3(11) 3_566 . ?
Sr2 Sr2 H2E 109.6(12) 3_566 . ?
O1 Sr2 H2D 103.2(10) . . ?
O2 Sr2 H2D 70.7(10) . . ?
N3 Sr2 H2D 102.3(11) . . ?
B1 Sr2 H2D 152.4(11) 3_566 . ?
B2 Sr2 H2D 21.5(10) . . ?
B3 Sr2 H2D 66.0(10) 3_566 . ?
B3 Sr2 H2D 115.1(10) . . ?
Sr1 Sr2 H2D 31.7(10) . . ?
Sr1 Sr2 H2D 148.7(10) 3_566 . ?
Sr2 Sr2 H2D 91.1(10) 3_566 . ?
H2E Sr2 H2D 36.3(15) . . ?
O1 Sr2 H2F 108.3(12) . . ?
O2 Sr2 H2F 105.7(13) . . ?
N3 Sr2 H2F 67.1(12) . . ?
B1 Sr2 H2F 159.1(13) 3_566 . ?
B2 Sr2 H2F 21.1(12) . . ?
B3 Sr2 H2F 72.5(12) 3_566 . ?
B3 Sr2 H2F 82.4(13) . . ?
Sr1 Sr2 H2F 28.8(11) . . ?
Sr1 Sr2 H2F 124.2(13) 3_566 . ?
Sr2 Sr2 H2F 73.2(13) 3_566 . ?
H2E Sr2 H2F 36.4(16) . . ?
H2D Sr2 H2F 35.3(15) . . ?
O1 Sr2 H3D 132.0(9) . . ?
O2 Sr2 H3D 144.1(9) . . ?
N3 Sr2 H3D 47.9(9) . . ?
B1 Sr2 H3D 70.9(8) 3_566 . ?
B2 Sr2 H3D 109.7(8) . . ?
B3 Sr2 H3D 66.5(9) 3_566 . ?
B3 Sr2 H3D 20.6(9) . . ?
Sr1 Sr2 H3D 83.0(8) . . ?
Sr1 Sr2 H3D 36.2(8) 3_566 . ?
Sr2 Sr2 H3D 26.1(8) 3_566 . ?
H2E Sr2 H3D 121.9(14) . . ?
H2D Sr2 H3D 114.5(13) . . ?
H2F Sr2 H3D 88.7(15) . . ?
C8 N1 B1 118.6(4) . . ?
C8 N1 Sr1 133.5(4) . . ?
B1 N1 Sr1 84.0(3) . . ?
C8 N1 H1 104(3) . . ?
B1 N1 H1 111(3) . . ?
Sr1 N1 H1 105(3) . . ?
C12 N2 B2 117.9(7) . . ?
C12 N2 Sr1 137.0(6) . . ?
B2 N2 Sr1 80.5(4) . . ?
C12 N2 H20A 105.6 . . ?
B2 N2 H20A 105.6 . . ?
Sr1 N2 H20A 105.6 . . ?
C12 C14 H14A 109.5 . . ?
C12 C14 H14B 109.5 . . ?
C12 C14 H14C 109.5 . . ?
C12 N2A B2 118.6(13) . . ?
C12 N2A Sr1 138.3(12) . . ?
B2 N2A Sr1 77.8(6) . . ?
C12 N2A H20B 105.6 . . ?
B2 N2A H20B 105.6 . . ?
Sr1 N2A H20B 105.6 . . ?
C12 C14A H14D 109.5 . . ?
C12 C14A H14E 109.5 . . ?
H14D C14A H14E 109.5 . . ?
C12 C14A H14F 109.5 . . ?
H14D C14A H14F 109.5 . . ?
H14E C14A H14F 109.5 . . ?
C16 N3 B3 117.5(5) . . ?
C16 N3 Sr2 131.5(4) . . ?
B3 N3 Sr2 97.3(3) . . ?
C16 N3 H3 102.2 . . ?
B3 N3 H3 102.2 . . ?
Sr2 N3 H3 102.2 . . ?
N1 B1 Sr2 170.5(4) . 3_566 ?
N1 B1 Sr1 64.3(3) . . ?
Sr2 B1 Sr1 107.4(2) 3_566 . ?
N1 B1 H1D 110(2) . . ?
Sr2 B1 H1D 69(2) 3_566 . ?
Sr1 B1 H1D 69(2) . . ?
N1 B1 H1E 117(3) . . ?
Sr2 B1 H1E 71(3) 3_566 . ?
Sr1 B1 H1E 172(3) . . ?
H1D B1 H1E 103(3) . . ?
N1 B1 H1F 108(3) . . ?
Sr2 B1 H1F 65(2) 3_566 . ?
Sr1 B1 H1F 83(2) . . ?
H1D B1 H1F 115(3) . . ?
H1E B1 H1F 104(4) . . ?
N2 B2 N2A 34.4(6) . . ?
N2 B2 Sr1 66.5(4) . . ?
N2A B2 Sr1 68.0(6) . . ?
N2 B2 Sr2 163.2(6) . . ?
N2A B2 Sr2 158.4(9) . . ?
Sr1 B2 Sr2 105.4(2) . . ?
N2 B2 H2E 119(3) . . ?
N2A B2 H2E 119(3) . . ?
Sr1 B2 H2E 173(3) . . ?
Sr2 B2 H2E 68(3) . . ?
N2 B2 H2D 117(3) . . ?
N2A B2 H2D 88(3) . . ?
Sr1 B2 H2D 69(3) . . ?
Sr2 B2 H2D 71(3) . . ?
H2E B2 H2D 110(4) . . ?
N2 B2 H2F 97(3) . . ?
N2A B2 H2F 123(3) . . ?
Sr1 B2 H2F 64(3) . . ?
Sr2 B2 H2F 66(3) . . ?
H2E B2 H2F 110(4) . . ?
H2D B2 H2F 102(4) . . ?
N3 B3 Sr2 123.9(3) . 3_566 ?
N3 B3 Sr1 130.9(4) . 3_566 ?
Sr2 B3 Sr1 91.48(16) 3_566 3_566 ?
N3 B3 Sr2 54.7(2) . . ?
Sr2 B3 Sr2 96.61(17) 3_566 . ?
Sr1 B3 Sr2 92.13(16) 3_566 . ?
N3 B3 H3D 113(2) . . ?
Sr2 B3 H3D 48(2) 3_566 . ?
Sr1 B3 H3D 63(2) 3_566 . ?
Sr2 B3 H3D 61(2) . . ?
N3 B3 H3E 112(2) . . ?
Sr2 B3 H3E 124(2) 3_566 . ?
Sr1 B3 H3E 44(2) 3_566 . ?
Sr2 B3 H3E 113(2) . . ?
H3D B3 H3E 107(3) . . ?
N3 B3 H3F 115(3) . . ?
Sr2 B3 H3F 50(3) 3_566 . ?
Sr1 B3 H3F 114(3) 3_566 . ?
Sr2 B3 H3F 136(3) . . ?
H3D B3 H3F 98(4) . . ?
H3E B3 H3F 111(4) . . ?
C1 Si1 C4 110.6(3) . . ?
C1 Si1 C2 117.5(4) . . ?
C4 Si1 C2 103.3(4) . . ?
C1 Si1 C3 111.1(4) . . ?
C4 Si1 C3 108.9(4) . . ?
C2 Si1 C3 104.9(5) . . ?
C1 Si1 Sr1 43.0(2) . . ?
C4 Si1 Sr1 74.4(2) . . ?
C2 Si1 Sr1 150.9(3) . . ?
C3 Si1 Sr1 103.1(3) . . ?
C1 Si2 C7 111.3(4) . . ?
C1 Si2 C5 118.2(3) . . ?
C7 Si2 C5 104.3(4) . . ?
C1 Si2 C6 111.0(4) . . ?
C7 Si2 C6 107.8(6) . . ?
C5 Si2 C6 103.5(4) . . ?
Si2 C1 Si1 121.8(4) . . ?
Si2 C1 Sr1 118.1(3) . . ?
Si1 C1 Sr1 109.7(3) . . ?
Si2 C1 H1A 102(5) . . ?
Si1 C1 H1A 107(5) . . ?
Sr1 C1 H1A 92(5) . . ?
Si1 C2 H2A 109.5 . . ?
Si1 C2 H2B 109.5 . . ?
H2A C2 H2B 109.5 . . ?
Si1 C2 H2C 109.5 . . ?
H2A C2 H2C 109.5 . . ?
H2B C2 H2C 109.5 . . ?
Si1 C3 H3A 109.5 . . ?
Si1 C3 H3B 109.5 . . ?
H3A C3 H3B 109.5 . . ?
Si1 C3 H3C 109.5 . . ?
H3A C3 H3C 109.5 . . ?
H3B C3 H3C 109.5 . . ?
Si1 C4 H4A 109.5 . . ?
Si1 C4 H4B 109.5 . . ?
H4A C4 H4B 109.5 . . ?
Si1 C4 H4C 109.5 . . ?
H4A C4 H4C 109.5 . . ?
H4B C4 H4C 109.5 . . ?
Si2 C5 H5A 109.5 . . ?
Si2 C5 H5B 109.5 . . ?
H5A C5 H5B 109.5 . . ?
Si2 C5 H5C 109.5 . . ?
H5A C5 H5C 109.5 . . ?
H5B C5 H5C 109.5 . . ?
Si2 C6 H6A 109.5 . . ?
Si2 C6 H6B 109.5 . . ?
H6A C6 H6B 109.5 . . ?
Si2 C6 H6C 109.5 . . ?
H6A C6 H6C 109.5 . . ?
H6B C6 H6C 109.5 . . ?
Si2 C7 H7A 109.5 . . ?
Si2 C7 H7B 109.5 . . ?
H7A C7 H7B 109.5 . . ?
Si2 C7 H7C 109.5 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?
N1 C8 C11 109.4(5) . . ?
N1 C8 C9 107.2(5) . . ?
C11 C8 C9 109.9(6) . . ?
N1 C8 C10 110.5(5) . . ?
C11 C8 C10 110.4(5) . . ?
C9 C8 C10 109.3(5) . . ?
C8 C9 H9A 109.5 . . ?
C8 C9 H9B 109.5 . . ?
H9A C9 H9B 109.5 . . ?
C8 C9 H9C 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
C8 C10 H10A 109.5 . . ?
C8 C10 H10B 109.5 . . ?
H10A C10 H10B 109.5 . . ?
C8 C10 H10C 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
C8 C11 H11A 109.5 . . ?
C8 C11 H11B 109.5 . . ?
H11A C11 H11B 109.5 . . ?
C8 C11 H11C 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
N2A C12 C13 119.1(9) . . ?
N2A C12 N2 38.4(7) . . ?
C13 C12 N2 113.0(7) . . ?
N2A C12 C15 123.5(8) . . ?
C13 C12 C15 117.3(7) . . ?
N2 C12 C15 116.9(7) . . ?
N2A C12 C14 66.1(10) . . ?
C13 C12 C14 99.7(7) . . ?
N2 C12 C14 104.5(7) . . ?
C15 C12 C14 102.0(7) . . ?
N2A C12 C14A 104.5(13) . . ?
C13 C12 C14A 85.4(10) . . ?
N2 C12 C14A 66.1(10) . . ?
C15 C12 C14A 82.4(12) . . ?
C14 C12 C14A 170.5(10) . . ?
C12 C13 H13A 109.5 . . ?
C12 C13 H13B 109.5 . . ?
H13A C13 H13B 109.5 . . ?
C12 C13 H13C 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
C12 C15 H15A 109.5 . . ?
C12 C15 H15B 109.5 . . ?
H15A C15 H15B 109.5 . . ?
C12 C15 H15C 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
C18 C16 N3 108.3(5) . . ?
C18 C16 C17 110.9(6) . . ?
N3 C16 C17 106.3(5) . . ?
C18 C16 C19 109.1(6) . . ?
N3 C16 C19 112.1(5) . . ?
C17 C16 C19 110.1(6) . . ?
C16 C17 H17A 109.5 . . ?
C16 C17 H17B 109.5 . . ?
H17A C17 H17B 109.5 . . ?
C16 C17 H17C 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
C16 C18 H18A 109.5 . . ?
C16 C18 H18B 109.5 . . ?
H18A C18 H18B 109.5 . . ?
C16 C18 H18C 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
C16 C19 H19A 109.5 . . ?
C16 C19 H19B 109.5 . . ?
H19A C19 H19B 109.5 . . ?
C16 C19 H19C 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
C24A O1 C21 94(2) . . ?
C24A O1 C24 18(3) . . ?
C21 O1 C24 108.3(15) . . ?
C24A O1 C21A 102.5(18) . . ?
C21 O1 C21A 50.4(8) . . ?
C24 O1 C21A 102.9(16) . . ?
C24A O1 Sr2 132.2(18) . . ?
C21 O1 Sr2 128.0(6) . . ?
C24 O1 Sr2 122.2(14) . . ?
C21A O1 Sr2 121.3(7) . . ?
C24A C23 C22 84(2) . . ?
C24A C23 C22A 101.9(17) . . ?
C22 C23 C22A 84.3(15) . . ?
C24A C23 C24 18(3) . . ?
C22 C23 C24 100.6(15) . . ?
C22A C23 C24 97.0(17) . . ?
C24A C23 H23A 112.6 . . ?
C22 C23 H23A 111.6 . . ?
C22A C23 H23A 142.8 . . ?
C24 C23 H23A 111.6 . . ?
C24A C23 H23B 124.8 . . ?
C22 C23 H23B 111.6 . . ?
C22A C23 H23B 35.1 . . ?
C24 C23 H23B 111.6 . . ?
H23A C23 H23B 109.4 . . ?
C24A C23 H23C 111.4 . . ?
C22 C23 H23C 153.9 . . ?
C22A C23 H23C 111.4 . . ?
C24 C23 H23C 98.0 . . ?
H23A C23 H23C 43.6 . . ?
H23B C23 H23C 77.6 . . ?
C24A C23 H23D 111.4 . . ?
C22 C23 H23D 44.6 . . ?
C22A C23 H23D 111.4 . . ?
C24 C23 H23D 128.6 . . ?
H23A C23 H23D 68.7 . . ?
H23B C23 H23D 116.2 . . ?
H23C C23 H23D 109.2 . . ?
C22 C21 O1 106.6(12) . . ?
C22 C21 H21A 110.4 . . ?
O1 C21 H21A 110.4 . . ?
C22 C21 H21B 110.4 . . ?
O1 C21 H21B 110.4 . . ?
H21A C21 H21B 108.6 . . ?
C21 C22 C23 108.0(14) . . ?
C21 C22 H22A 110.1 . . ?
C23 C22 H22A 110.1 . . ?
C21 C22 H22B 110.1 . . ?
C23 C22 H22B 110.1 . . ?
H22A C22 H22B 108.4 . . ?
O1 C24 C23 102(2) . . ?
O1 C24 H24A 111.3 . . ?
C23 C24 H24A 111.3 . . ?
O1 C24 H24B 111.3 . . ?
C23 C24 H24B 111.3 . . ?
H24A C24 H24B 109.2 . . ?
C22A C21A O1 106.4(11) . . ?
C22A C21A H21C 110.4 . . ?
O1 C21A H21C 110.4 . . ?
C22A C21A H21D 110.4 . . ?
O1 C21A H21D 110.4 . . ?
H21C C21A H21D 108.6 . . ?
C21A C22A C23 101.0(11) . . ?
C21A C22A H22C 111.6 . . ?
C23 C22A H22C 111.6 . . ?
C21A C22A H22D 111.6 . . ?
C23 C22A H22D 111.6 . . ?
H22C C22A H22D 109.4 . . ?
O1 C24A C23 116(3) . . ?
O1 C24A H24C 108.3 . . ?
C23 C24A H24C 108.3 . . ?
O1 C24A H24D 108.3 . . ?
C23 C24A H24D 108.3 . . ?
H24C C24A H24D 107.4 . . ?
C31 O2 C34 112.2(10) . . ?
C31 O2 C34A 54.2(13) . . ?
C34 O2 C34A 88.0(16) . . ?
C31 O2 C31A 68.2(13) . . ?
C34 O2 C31A 65.2(12) . . ?
C34A O2 C31A 98.9(12) . . ?
C31 O2 Sr2 124.9(6) . . ?
C34 O2 Sr2 122.5(7) . . ?
C34A O2 Sr2 129.8(9) . . ?
C31A O2 Sr2 129.0(9) . . ?
C32 C31 O2 110(2) . . ?
C32 C31 H31A 109.7 . . ?
O2 C31 H31A 109.7 . . ?
C32 C31 H31B 109.7 . . ?
O2 C31 H31B 109.7 . . ?
H31A C31 H31B 108.2 . . ?
C31 C32 C33 105(2) . . ?
C31 C32 H32A 110.7 . . ?
C33 C32 H32A 110.7 . . ?
C31 C32 H32B 110.7 . . ?
C33 C32 H32B 110.7 . . ?
H32A C32 H32B 108.8 . . ?
C34 C33 C32 105.8(17) . . ?
C34 C33 H33A 110.6 . . ?
C32 C33 H33A 110.6 . . ?
C34 C33 H33B 110.6 . . ?
C32 C33 H33B 110.6 . . ?
H33A C33 H33B 108.7 . . ?
O2 C34 C33 104.2(13) . . ?
O2 C34 H34A 110.9 . . ?
C33 C34 H34A 110.9 . . ?
O2 C34 H34B 110.9 . . ?
C33 C34 H34B 110.9 . . ?
H34A C34 H34B 108.9 . . ?
C32A C31A O2 107.6(18) . . ?
C32A C31A H31C 110.2 . . ?
O2 C31A H31C 110.2 . . ?
C32A C31A H31D 110.2 . . ?
O2 C31A H31D 110.2 . . ?
H31C C31A H31D 108.5 . . ?
C31A C32A C33A 106(4) . . ?
C31A C32A H32C 110.6 . . ?
C33A C32A H32C 110.6 . . ?
C31A C32A H32D 110.6 . . ?
C33A C32A H32D 110.6 . . ?
H32C C32A H32D 108.7 . . ?
C34A C33A C32A 98(3) . . ?
C34A C33A H33C 112.3 . . ?
C32A C33A H33C 112.3 . . ?
C34A C33A H33D 112.3 . . ?
C32A C33A H33D 112.3 . . ?
H33C C33A H33D 109.9 . . ?
C33A C34A O2 112(2) . . ?
C33A C34A H34C 109.2 . . ?
O2 C34A H34C 109.2 . . ?
C33A C34A H34D 109.2 . . ?
O2 C34A H34D 109.2 . . ?
H34C C34A H34D 107.9 . . ?

_diffrn_measured_fraction_theta_max 0.987
_diffrn_reflns_theta_full        25.05
_diffrn_measured_fraction_theta_full 0.987
_refine_diff_density_max         0.890
_refine_diff_density_min         -0.494
_refine_diff_density_rms         0.076