Supporting information
Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536806042899/cv2131sup1.cif | |
Structure factor file (CIF format) https://doi.org/10.1107/S1600536806042899/cv2131Isup2.hkl |
CCDC reference: 627473
Key indicators
- Single-crystal X-ray study
- T = 298 K
- Mean (C-C) = 0.014 Å
- R factor = 0.036
- wR factor = 0.092
- Data-to-parameter ratio = 11.4
checkCIF/PLATON results
No syntax errors found
Alert level C PLAT062_ALERT_4_C Rescale T(min) & T(max) by ..................... 0.95 PLAT125_ALERT_4_C No _symmetry_space_group_name_Hall Given ....... ? PLAT241_ALERT_2_C Check High Ueq as Compared to Neighbors for S2 PLAT241_ALERT_2_C Check High Ueq as Compared to Neighbors for C10 PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for Sn1 PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for C11 PLAT342_ALERT_3_C Low Bond Precision on C-C bonds (x 1000) Ang ... 14
Alert level G ABSTM02_ALERT_3_G When printed, the submitted absorption T values will be replaced by the scaled T values. Since the ratio of scaled T's is identical to the ratio of reported T values, the scaling does not imply a change to the absorption corrections used in the study. Ratio of Tmax expected/reported 0.949 Tmax scaled 0.585 Tmin scaled 0.466 REFLT03_ALERT_4_G WARNING: Large fraction of Friedel related reflns may be needed to determine absolute structure From the CIF: _diffrn_reflns_theta_max 25.01 From the CIF: _reflns_number_total 4003 Count of symmetry unique reflns 2920 Completeness (_total/calc) 137.09% TEST3: Check Friedels for noncentro structure Estimate of Friedel pairs measured 1083 Fraction of Friedel pairs measured 0.371 Are heavy atom types Z>Si present yes
0 ALERT level A = In general: serious problem 0 ALERT level B = Potentially serious problem 7 ALERT level C = Check and explain 2 ALERT level G = General alerts; check 0 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 4 ALERT type 2 Indicator that the structure model may be wrong or deficient 2 ALERT type 3 Indicator that the structure quality may be low 3 ALERT type 4 Improvement, methodology, query or suggestion 0 ALERT type 5 Informative message, check
Data collection: SMART (Siemens, 1996); cell refinement: SAINT (Siemens, 1996); data reduction: SAINT; program(s) used to solve structure: SHELXS97 (Sheldrick, 1997a); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997a); molecular graphics: SHELXTL (Sheldrick, 1997b); software used to prepare material for publication: SHELXTL.
[Sn2(CH3)6(C2N2S3)(C10H8N2)]·C10H8N2 | F(000) = 784 |
Mr = 788.17 | Dx = 1.583 Mg m−3 |
Monoclinic, Pc | Mo Kα radiation, λ = 0.71073 Å |
a = 10.886 (5) Å | Cell parameters from 3491 reflections |
b = 11.525 (5) Å | θ = 2.4–24.7° |
c = 13.236 (6) Å | µ = 1.73 mm−1 |
β = 95.249 (6)° | T = 298 K |
V = 1653.6 (13) Å3 | Block, colourless |
Z = 2 | 0.48 × 0.45 × 0.31 mm |
Bruker SMART CCD area-detector diffractometer | 4003 independent reflections |
Radiation source: fine-focus sealed tube | 3440 reflections with I > 2σ(I) |
Graphite monochromator | Rint = 0.061 |
φ and ω scans | θmax = 25.0°, θmin = 1.8° |
Absorption correction: multi-scan (SADABS; Sheldrick, 1996) | h = −11→12 |
Tmin = 0.491, Tmax = 0.617 | k = −13→13 |
8311 measured reflections | l = −15→13 |
Refinement on F2 | Secondary atom site location: difference Fourier map |
Least-squares matrix: full | Hydrogen site location: inferred from neighbouring sites |
R[F2 > 2σ(F2)] = 0.036 | H-atom parameters constrained |
wR(F2) = 0.092 | w = 1/[σ2(Fo2) + (0.0332P)2] where P = (Fo2 + 2Fc2)/3 |
S = 1.00 | (Δ/σ)max = 0.001 |
4003 reflections | Δρmax = 0.76 e Å−3 |
352 parameters | Δρmin = −0.68 e Å−3 |
2 restraints | Absolute structure: Flack (1983), 1083 Friedel pairs |
Primary atom site location: structure-invariant direct methods | Absolute structure parameter: 0.02 (3) |
Experimental. Analysis, calculated for C84H60O10F16Sn4: C 42.66, H 4.35, N 10.66; found: C 42.43, H 4.48, N 10.49. The elemental analyses were performed with PERKIN ELMER MODEL 2400 SERIES II. |
Geometry. All e.s.d.'s (except the e.s.d. in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell e.s.d.'s are taken into account individually in the estimation of e.s.d.'s in distances, angles and torsion angles; correlations between e.s.d.'s in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell e.s.d.'s is used for estimating e.s.d.'s involving l.s. planes. |
Refinement. Refinement of F2 against ALL reflections. The weighted R-factor wR and goodness of fit S are based on F2, conventional R-factors R are based on F, with F set to zero for negative F2. The threshold expression of F2 > σ(F2) is used only for calculating R-factors(gt) etc. and is not relevant to the choice of reflections for refinement. R-factors based on F2 are statistically about twice as large as those based on F, and R- factors based on ALL data will be even larger. |
x | y | z | Uiso*/Ueq | ||
Sn1 | 0.38379 (5) | 0.47796 (4) | 0.97654 (4) | 0.04496 (17) | |
Sn2 | 0.85269 (5) | 0.39205 (5) | 0.75091 (4) | 0.04262 (16) | |
N1 | 0.6540 (6) | 0.5467 (6) | 0.8555 (6) | 0.0476 (18) | |
N2 | 0.7723 (6) | 0.5486 (5) | 0.8250 (5) | 0.0429 (16) | |
N3 | 0.2715 (7) | 0.2916 (6) | 1.0268 (5) | 0.0492 (18) | |
N4 | −0.0481 (7) | −0.2108 (6) | 1.1759 (6) | 0.0471 (17) | |
N5 | 0.8027 (11) | 0.8740 (8) | 0.4590 (8) | 0.085 (3) | |
N6 | 0.3368 (9) | 1.0333 (10) | 0.7765 (8) | 0.078 (3) | |
S1 | 0.7431 (2) | 0.74312 (17) | 0.90677 (18) | 0.0513 (5) | |
S2 | 0.4846 (2) | 0.6756 (2) | 0.9437 (2) | 0.0636 (7) | |
S3 | 0.9816 (2) | 0.6751 (2) | 0.8250 (2) | 0.0616 (6) | |
C1 | 0.6240 (8) | 0.6425 (7) | 0.8968 (7) | 0.048 (2) | |
C2 | 0.8359 (7) | 0.6446 (6) | 0.8477 (6) | 0.0370 (17) | |
C3 | 0.3495 (11) | 0.4253 (9) | 0.8240 (8) | 0.074 (3) | |
H3A | 0.2784 | 0.4654 | 0.7932 | 0.111* | |
H3B | 0.3348 | 0.3432 | 0.8213 | 0.111* | |
H3C | 0.4198 | 0.4434 | 0.7880 | 0.111* | |
C4 | 0.5349 (9) | 0.4057 (9) | 1.0675 (9) | 0.072 (3) | |
H4A | 0.5383 | 0.4384 | 1.1344 | 0.108* | |
H4B | 0.6100 | 0.4228 | 1.0379 | 0.108* | |
H4C | 0.5247 | 0.3231 | 1.0715 | 0.108* | |
C5 | 0.2349 (8) | 0.5716 (8) | 1.0367 (9) | 0.062 (3) | |
H5A | 0.2584 | 0.5923 | 1.1060 | 0.093* | |
H5B | 0.1627 | 0.5235 | 1.0333 | 0.093* | |
H5C | 0.2175 | 0.6407 | 0.9974 | 0.093* | |
C6 | 0.9881 (9) | 0.3637 (8) | 0.8738 (8) | 0.066 (3) | |
H6A | 0.9522 | 0.3215 | 0.9263 | 0.098* | |
H6B | 1.0184 | 0.4370 | 0.9000 | 0.098* | |
H6C | 1.0551 | 0.3197 | 0.8508 | 0.098* | |
C7 | 0.6828 (8) | 0.3003 (8) | 0.7393 (9) | 0.064 (3) | |
H7A | 0.6727 | 0.2620 | 0.8024 | 0.095* | |
H7B | 0.6828 | 0.2436 | 0.6861 | 0.095* | |
H7C | 0.6160 | 0.3537 | 0.7240 | 0.095* | |
C8 | 0.8904 (10) | 0.4822 (7) | 0.6171 (7) | 0.055 (2) | |
H8A | 0.8168 | 0.4858 | 0.5713 | 0.083* | |
H8B | 0.9536 | 0.4420 | 0.5850 | 0.083* | |
H8C | 0.9177 | 0.5595 | 0.6344 | 0.083* | |
C9 | 0.2068 (10) | 0.2896 (8) | 1.1084 (8) | 0.067 (3) | |
H9 | 0.2043 | 0.3569 | 1.1469 | 0.081* | |
C10 | 0.1430 (11) | 0.1927 (9) | 1.1390 (8) | 0.069 (3) | |
H10 | 0.1015 | 0.1959 | 1.1974 | 0.083* | |
C11 | 0.1415 (8) | 0.0932 (7) | 1.0832 (6) | 0.038 (2) | |
C12 | 0.2062 (11) | 0.0962 (8) | 0.9981 (8) | 0.058 (3) | |
H12 | 0.2090 | 0.0306 | 0.9575 | 0.070* | |
C13 | 0.2656 (9) | 0.1942 (8) | 0.9734 (8) | 0.062 (3) | |
H13 | 0.3055 | 0.1930 | 0.9142 | 0.075* | |
C14 | −0.0409 (10) | −0.1127 (8) | 1.2325 (8) | 0.062 (3) | |
H14 | −0.0768 | −0.1122 | 1.2936 | 0.074* | |
C15 | 0.0168 (10) | −0.0144 (8) | 1.2035 (8) | 0.056 (3) | |
H15 | 0.0187 | 0.0509 | 1.2449 | 0.067* | |
C16 | 0.0729 (8) | −0.0105 (6) | 1.1132 (7) | 0.039 (2) | |
C17 | 0.0601 (9) | −0.1107 (7) | 1.0548 (7) | 0.053 (2) | |
H17 | 0.0911 | −0.1125 | 0.9916 | 0.063* | |
C18 | 0.0031 (9) | −0.2057 (8) | 1.0885 (7) | 0.056 (2) | |
H18 | −0.0004 | −0.2717 | 1.0480 | 0.068* | |
C19 | 0.8020 (10) | 0.8317 (10) | 0.5515 (10) | 0.075 (3) | |
H19 | 0.8637 | 0.7794 | 0.5736 | 0.090* | |
C20 | 0.7148 (9) | 0.8603 (9) | 0.6185 (8) | 0.060 (2) | |
H20 | 0.7203 | 0.8293 | 0.6836 | 0.071* | |
C21 | 0.6177 (9) | 0.9373 (7) | 0.5855 (7) | 0.052 (2) | |
C22 | 0.6178 (12) | 0.9781 (9) | 0.4891 (10) | 0.080 (3) | |
H22 | 0.5553 | 1.0273 | 0.4626 | 0.095* | |
C23 | 0.7119 (15) | 0.9460 (10) | 0.4299 (10) | 0.094 (4) | |
H23 | 0.7106 | 0.9776 | 0.3652 | 0.113* | |
C24 | 0.3754 (12) | 1.1020 (10) | 0.7061 (11) | 0.082 (4) | |
H24 | 0.3384 | 1.1746 | 0.6986 | 0.098* | |
C25 | 0.4643 (9) | 1.0767 (8) | 0.6434 (8) | 0.061 (3) | |
H25 | 0.4865 | 1.1308 | 0.5962 | 0.073* | |
C26 | 0.5211 (9) | 0.9689 (7) | 0.6512 (7) | 0.050 (2) | |
C27 | 0.4814 (10) | 0.8945 (9) | 0.7231 (8) | 0.062 (3) | |
H27 | 0.5159 | 0.8209 | 0.7308 | 0.075* | |
C28 | 0.3908 (11) | 0.9283 (11) | 0.7840 (10) | 0.081 (3) | |
H28 | 0.3663 | 0.8763 | 0.8320 | 0.097* |
U11 | U22 | U33 | U12 | U13 | U23 | |
Sn1 | 0.0436 (3) | 0.0497 (3) | 0.0423 (3) | 0.0034 (3) | 0.0082 (2) | −0.0007 (3) |
Sn2 | 0.0403 (3) | 0.0481 (3) | 0.0403 (3) | −0.0016 (3) | 0.0079 (2) | −0.0025 (3) |
N1 | 0.041 (4) | 0.049 (4) | 0.054 (5) | −0.003 (3) | 0.014 (4) | −0.001 (4) |
N2 | 0.050 (4) | 0.040 (4) | 0.040 (4) | −0.006 (3) | 0.014 (3) | −0.005 (3) |
N3 | 0.061 (5) | 0.050 (4) | 0.038 (4) | −0.008 (3) | 0.015 (3) | −0.006 (3) |
N4 | 0.050 (4) | 0.039 (4) | 0.056 (5) | 0.002 (3) | 0.023 (4) | −0.003 (3) |
N5 | 0.112 (9) | 0.073 (6) | 0.077 (7) | −0.002 (6) | 0.040 (7) | 0.002 (5) |
N6 | 0.067 (6) | 0.106 (8) | 0.063 (6) | 0.008 (6) | 0.017 (5) | −0.023 (6) |
S1 | 0.0592 (14) | 0.0408 (11) | 0.0557 (14) | −0.0051 (10) | 0.0148 (11) | −0.0043 (10) |
S2 | 0.0562 (14) | 0.0460 (13) | 0.093 (2) | 0.0048 (11) | 0.0325 (14) | −0.0016 (13) |
S3 | 0.0561 (14) | 0.0712 (15) | 0.0604 (16) | −0.0202 (12) | 0.0210 (12) | −0.0075 (13) |
C1 | 0.053 (5) | 0.045 (5) | 0.046 (5) | 0.002 (4) | 0.013 (4) | 0.001 (4) |
C2 | 0.046 (4) | 0.037 (4) | 0.028 (4) | −0.003 (3) | 0.006 (3) | −0.006 (3) |
C3 | 0.089 (8) | 0.088 (7) | 0.049 (6) | −0.028 (6) | 0.022 (6) | −0.007 (5) |
C4 | 0.048 (6) | 0.075 (6) | 0.090 (8) | −0.003 (5) | −0.008 (5) | 0.032 (6) |
C5 | 0.030 (5) | 0.072 (6) | 0.087 (8) | 0.015 (4) | 0.019 (5) | −0.003 (6) |
C6 | 0.065 (6) | 0.064 (5) | 0.064 (7) | −0.004 (5) | −0.018 (5) | 0.002 (5) |
C7 | 0.050 (5) | 0.049 (5) | 0.093 (8) | −0.007 (4) | 0.011 (5) | −0.008 (5) |
C8 | 0.075 (7) | 0.054 (5) | 0.038 (5) | 0.004 (5) | 0.015 (5) | −0.001 (4) |
C9 | 0.093 (8) | 0.053 (6) | 0.060 (6) | −0.015 (5) | 0.028 (6) | −0.012 (5) |
C10 | 0.097 (8) | 0.060 (6) | 0.058 (6) | −0.024 (5) | 0.049 (6) | −0.018 (5) |
C11 | 0.045 (5) | 0.037 (4) | 0.032 (5) | 0.003 (4) | 0.011 (4) | 0.001 (4) |
C12 | 0.079 (7) | 0.049 (5) | 0.052 (6) | −0.005 (5) | 0.036 (5) | −0.004 (4) |
C13 | 0.075 (7) | 0.058 (6) | 0.061 (6) | 0.009 (5) | 0.039 (5) | 0.005 (5) |
C14 | 0.082 (7) | 0.056 (5) | 0.052 (6) | −0.011 (5) | 0.031 (5) | −0.005 (5) |
C15 | 0.074 (7) | 0.047 (5) | 0.050 (6) | −0.004 (4) | 0.026 (5) | −0.001 (4) |
C16 | 0.043 (5) | 0.038 (4) | 0.039 (5) | 0.003 (3) | 0.017 (4) | 0.002 (4) |
C17 | 0.066 (6) | 0.053 (5) | 0.042 (5) | −0.016 (4) | 0.020 (4) | −0.008 (4) |
C18 | 0.065 (6) | 0.056 (5) | 0.050 (6) | −0.004 (5) | 0.012 (5) | −0.015 (5) |
C19 | 0.061 (6) | 0.074 (7) | 0.091 (10) | 0.004 (5) | 0.018 (6) | 0.002 (7) |
C20 | 0.057 (6) | 0.070 (6) | 0.052 (6) | 0.008 (5) | 0.007 (5) | 0.001 (5) |
C21 | 0.067 (6) | 0.040 (4) | 0.048 (6) | −0.007 (4) | 0.006 (4) | −0.005 (4) |
C22 | 0.098 (9) | 0.070 (7) | 0.070 (8) | 0.011 (6) | 0.009 (7) | 0.013 (6) |
C23 | 0.146 (13) | 0.072 (8) | 0.070 (9) | 0.009 (8) | 0.047 (9) | 0.019 (7) |
C24 | 0.087 (9) | 0.068 (7) | 0.090 (10) | 0.011 (6) | 0.006 (8) | −0.016 (7) |
C25 | 0.075 (7) | 0.047 (5) | 0.060 (6) | −0.006 (5) | 0.002 (5) | −0.010 (5) |
C26 | 0.058 (6) | 0.048 (5) | 0.043 (5) | −0.003 (4) | 0.003 (4) | −0.010 (4) |
C27 | 0.067 (7) | 0.070 (6) | 0.049 (6) | 0.007 (5) | 0.001 (5) | −0.003 (5) |
C28 | 0.078 (8) | 0.100 (9) | 0.065 (8) | 0.007 (7) | 0.007 (6) | −0.001 (7) |
Sn1—C3 | 2.109 (10) | C7—H7B | 0.9600 |
Sn1—C4 | 2.118 (9) | C7—H7C | 0.9600 |
Sn1—C5 | 2.158 (9) | C8—H8A | 0.9600 |
Sn1—S2 | 2.582 (3) | C8—H8B | 0.9600 |
Sn1—N3 | 2.588 (7) | C8—H8C | 0.9600 |
Sn2—C6 | 2.119 (9) | C9—C10 | 1.394 (14) |
Sn2—C7 | 2.124 (9) | C9—H9 | 0.9300 |
Sn2—C8 | 2.126 (9) | C10—C11 | 1.364 (12) |
Sn2—N2 | 2.267 (6) | C10—H10 | 0.9300 |
Sn2—N4i | 2.591 (7) | C11—C12 | 1.382 (13) |
N1—C1 | 1.287 (11) | C11—C16 | 1.482 (11) |
N1—N2 | 1.384 (9) | C12—C13 | 1.356 (13) |
N2—C2 | 1.325 (10) | C12—H12 | 0.9300 |
N3—C13 | 1.325 (11) | C13—H13 | 0.9300 |
N3—C9 | 1.342 (12) | C14—C15 | 1.367 (13) |
N4—C18 | 1.330 (12) | C14—H14 | 0.9300 |
N4—C14 | 1.355 (11) | C15—C16 | 1.392 (14) |
N4—Sn2ii | 2.591 (7) | C15—H15 | 0.9300 |
N5—C19 | 1.318 (16) | C16—C17 | 1.390 (11) |
N5—C23 | 1.320 (16) | C17—C18 | 1.354 (13) |
N6—C24 | 1.320 (16) | C17—H17 | 0.9300 |
N6—C28 | 1.345 (15) | C18—H18 | 0.9300 |
S1—C1 | 1.736 (9) | C19—C20 | 1.397 (15) |
S1—C2 | 1.751 (8) | C19—H19 | 0.9300 |
S2—C1 | 1.734 (9) | C20—C21 | 1.418 (13) |
S3—C2 | 1.679 (8) | C20—H20 | 0.9300 |
C3—H3A | 0.9600 | C21—C22 | 1.360 (15) |
C3—H3B | 0.9600 | C21—C26 | 1.470 (14) |
C3—H3C | 0.9600 | C22—C23 | 1.395 (18) |
C4—H4A | 0.9600 | C22—H22 | 0.9300 |
C4—H4B | 0.9600 | C23—H23 | 0.9300 |
C4—H4C | 0.9600 | C24—C25 | 1.363 (18) |
C5—H5A | 0.9600 | C24—H24 | 0.9300 |
C5—H5B | 0.9600 | C25—C26 | 1.387 (13) |
C5—H5C | 0.9600 | C25—H25 | 0.9300 |
C6—H6A | 0.9600 | C26—C27 | 1.380 (14) |
C6—H6B | 0.9600 | C27—C28 | 1.385 (16) |
C6—H6C | 0.9600 | C27—H27 | 0.9300 |
C7—H7A | 0.9600 | C28—H28 | 0.9300 |
C3—Sn1—C4 | 119.4 (5) | H7A—C7—H7C | 109.5 |
C3—Sn1—C5 | 115.1 (4) | H7B—C7—H7C | 109.5 |
C4—Sn1—C5 | 123.9 (5) | Sn2—C8—H8A | 109.5 |
C3—Sn1—S2 | 97.7 (3) | Sn2—C8—H8B | 109.5 |
C4—Sn1—S2 | 97.0 (3) | H8A—C8—H8B | 109.5 |
C5—Sn1—S2 | 88.0 (3) | Sn2—C8—H8C | 109.5 |
C3—Sn1—N3 | 87.8 (3) | H8A—C8—H8C | 109.5 |
C4—Sn1—N3 | 83.6 (3) | H8B—C8—H8C | 109.5 |
C5—Sn1—N3 | 86.1 (3) | N3—C9—C10 | 124.0 (9) |
S2—Sn1—N3 | 173.30 (17) | N3—C9—H9 | 118.0 |
C6—Sn2—C7 | 121.3 (4) | C10—C9—H9 | 118.0 |
C6—Sn2—C8 | 122.8 (4) | C11—C10—C9 | 119.8 (9) |
C7—Sn2—C8 | 114.6 (4) | C11—C10—H10 | 120.1 |
C6—Sn2—N2 | 93.4 (3) | C9—C10—H10 | 120.1 |
C7—Sn2—N2 | 93.4 (3) | C10—C11—C12 | 116.0 (9) |
C8—Sn2—N2 | 94.8 (3) | C10—C11—C16 | 120.9 (8) |
C6—Sn2—N4i | 83.4 (3) | C12—C11—C16 | 123.1 (8) |
C7—Sn2—N4i | 87.8 (3) | C13—C12—C11 | 120.5 (9) |
C8—Sn2—N4i | 87.5 (3) | C13—C12—H12 | 119.7 |
N2—Sn2—N4i | 176.8 (3) | C11—C12—H12 | 119.7 |
C1—N1—N2 | 112.9 (7) | N3—C13—C12 | 125.2 (9) |
C2—N2—N1 | 115.3 (6) | N3—C13—H13 | 117.4 |
C2—N2—Sn2 | 123.3 (5) | C12—C13—H13 | 117.4 |
N1—N2—Sn2 | 121.3 (5) | N4—C14—C15 | 122.8 (9) |
C13—N3—C9 | 114.3 (8) | N4—C14—H14 | 118.6 |
C13—N3—Sn1 | 124.5 (6) | C15—C14—H14 | 118.6 |
C9—N3—Sn1 | 121.1 (6) | C14—C15—C16 | 121.1 (9) |
C18—N4—C14 | 115.9 (8) | C14—C15—H15 | 119.5 |
C18—N4—Sn2ii | 126.3 (6) | C16—C15—H15 | 119.5 |
C14—N4—Sn2ii | 117.8 (6) | C17—C16—C15 | 114.9 (8) |
C19—N5—C23 | 115.8 (11) | C17—C16—C11 | 123.2 (8) |
C24—N6—C28 | 115.3 (11) | C15—C16—C11 | 121.8 (7) |
C1—S1—C2 | 89.4 (4) | C18—C17—C16 | 120.9 (9) |
C1—S2—Sn1 | 105.4 (3) | C18—C17—H17 | 119.5 |
N1—C1—S2 | 127.3 (7) | C16—C17—H17 | 119.5 |
N1—C1—S1 | 112.9 (6) | N4—C18—C17 | 124.3 (9) |
S2—C1—S1 | 119.8 (5) | N4—C18—H18 | 117.8 |
N2—C2—S3 | 128.1 (6) | C17—C18—H18 | 117.8 |
N2—C2—S1 | 109.4 (6) | N5—C19—C20 | 124.4 (11) |
S3—C2—S1 | 122.5 (4) | N5—C19—H19 | 117.8 |
Sn1—C3—H3A | 109.5 | C20—C19—H19 | 117.8 |
Sn1—C3—H3B | 109.5 | C19—C20—C21 | 118.9 (10) |
H3A—C3—H3B | 109.5 | C19—C20—H20 | 120.6 |
Sn1—C3—H3C | 109.5 | C21—C20—H20 | 120.6 |
H3A—C3—H3C | 109.5 | C22—C21—C20 | 116.1 (10) |
H3B—C3—H3C | 109.5 | C22—C21—C26 | 122.1 (9) |
Sn1—C4—H4A | 109.5 | C20—C21—C26 | 121.8 (8) |
Sn1—C4—H4B | 109.5 | C21—C22—C23 | 119.9 (11) |
H4A—C4—H4B | 109.5 | C21—C22—H22 | 120.0 |
Sn1—C4—H4C | 109.5 | C23—C22—H22 | 120.0 |
H4A—C4—H4C | 109.5 | N5—C23—C22 | 124.8 (11) |
H4B—C4—H4C | 109.5 | N5—C23—H23 | 117.6 |
Sn1—C5—H5A | 109.5 | C22—C23—H23 | 117.6 |
Sn1—C5—H5B | 109.5 | N6—C24—C25 | 126.2 (11) |
H5A—C5—H5B | 109.5 | N6—C24—H24 | 116.9 |
Sn1—C5—H5C | 109.5 | C25—C24—H24 | 116.9 |
H5A—C5—H5C | 109.5 | C24—C25—C26 | 118.9 (11) |
H5B—C5—H5C | 109.5 | C24—C25—H25 | 120.6 |
Sn2—C6—H6A | 109.5 | C26—C25—H25 | 120.6 |
Sn2—C6—H6B | 109.5 | C27—C26—C25 | 116.2 (10) |
H6A—C6—H6B | 109.5 | C27—C26—C21 | 122.7 (8) |
Sn2—C6—H6C | 109.5 | C25—C26—C21 | 121.1 (9) |
H6A—C6—H6C | 109.5 | C26—C27—C28 | 120.8 (10) |
H6B—C6—H6C | 109.5 | C26—C27—H27 | 119.6 |
Sn2—C7—H7A | 109.5 | C28—C27—H27 | 119.6 |
Sn2—C7—H7B | 109.5 | N6—C28—C27 | 122.6 (12) |
H7A—C7—H7B | 109.5 | N6—C28—H28 | 118.7 |
Sn2—C7—H7C | 109.5 | C27—C28—H28 | 118.7 |
Symmetry codes: (i) x+1, −y, z−1/2; (ii) x−1, −y, z+1/2. |
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