Supporting information
Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536806005721/om2003sup1.cif | |
Structure factor file (CIF format) https://doi.org/10.1107/S1600536806005721/om2003Isup2.hkl |
CCDC reference: 601226
Key indicators
- Single-crystal X-ray study
- T = 183 K
- Mean (C-C) = 0.013 Å
- R factor = 0.041
- wR factor = 0.110
- Data-to-parameter ratio = 19.8
checkCIF/PLATON results
No syntax errors found Datablock: I
Alert level A PLAT027_ALERT_3_A _diffrn_reflns_theta_full (too) Low ............ 24.64 Deg.
Alert level C THETM01_ALERT_3_C The value of sine(theta_max)/wavelength is less than 0.590 Calculated sin(theta_max)/wavelength = 0.5866 PLAT023_ALERT_3_C Resolution (too) Low [sin(th)/Lambda < 0.6]..... 24.64 Deg. PLAT220_ALERT_2_C Large Non-Solvent C Ueq(max)/Ueq(min) ... 2.97 Ratio PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for Si1 PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for Si2 PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for Si3 PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for Si4 PLAT342_ALERT_3_C Low Bond Precision on C-C bonds (x 1000) Ang ... 13 PLAT369_ALERT_2_C Long C(sp2)-C(sp2) Bond C1 - C2 ... 1.53 Ang. PLAT602_ALERT_4_C VERY LARGE Solvent Accessible VOID(S) in Structure !
1 ALERT level A = In general: serious problem 0 ALERT level B = Potentially serious problem 10 ALERT level C = Check and explain 0 ALERT level G = General alerts; check 0 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 6 ALERT type 2 Indicator that the structure model may be wrong or deficient 4 ALERT type 3 Indicator that the structure quality may be low 1 ALERT type 4 Improvement, methodology, query or suggestion
Data collection: CAD-4 EXPRESS (Enraf–Nonius, 1994); cell refinement: SET4 (de Boer & Duisenberg, 1984); data reduction: MolEN (Enraf–Nonius, 1990); program(s) used to solve structure: SHELXS86 (Sheldrick, 1990); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: XP (Siemens, 1990); software used to prepare material for publication: SHELXL97.
[Hf(C2H5)2(C13H23N2Si2)2] | F(000) = 1568 |
Mr = 763.64 | Dx = 1.182 Mg m−3 |
Monoclinic, P21/n | Mo Kα radiation, λ = 0.71073 Å |
Hall symbol: -P2yn | Cell parameters from 25 reflections |
a = 12.205 (2) Å | θ = 18.5–20.1° |
b = 20.790 (4) Å | µ = 2.54 mm−1 |
c = 17.234 (3) Å | T = 183 K |
β = 101.00 (3)° | Cuboid, colorless |
V = 4292.6 (13) Å3 | 0.12 × 0.08 × 0.08 mm |
Z = 4 |
Enraf–Nonius CAD-4 diffractometer | 5285 reflections with I > 2σ(I) |
Radiation source: fine-focus sealed tube | Rint = 0.039 |
Graphite monochromator | θmax = 24.6°, θmin = 2.5° |
ω/2–θ scans | h = −14→0 |
Absorption correction: ψ scan (North et al., 1968) | k = 0→24 |
Tmin = 0.747, Tmax = 0.813 | l = −19→20 |
7584 measured reflections | 3 standard reflections every 600 min |
7229 independent reflections | intensity decay: 2.2% |
Refinement on F2 | Primary atom site location: structure-invariant direct methods |
Least-squares matrix: full | Secondary atom site location: difference Fourier map |
R[F2 > 2σ(F2)] = 0.041 | Hydrogen site location: inferred from neighbouring sites |
wR(F2) = 0.110 | H-atom parameters constrained |
S = 1.21 | w = 1/[σ2(Fo2) + (0.0435P)2 + 17.7042P] where P = (Fo2 + 2Fc2)/3 |
7229 reflections | (Δ/σ)max = 0.001 |
366 parameters | Δρmax = 0.95 e Å−3 |
0 restraints | Δρmin = −0.78 e Å−3 |
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 | ||
Hf1 | 0.16156 (2) | 0.371892 (14) | 0.890536 (17) | 0.02855 (10) | |
N1 | 0.3101 (5) | 0.3346 (3) | 0.8441 (4) | 0.0349 (14) | |
C1 | 0.3381 (6) | 0.3936 (4) | 0.8271 (4) | 0.0343 (17) | |
N2 | 0.2637 (5) | 0.4401 (3) | 0.8290 (4) | 0.0357 (14) | |
C2 | 0.4523 (6) | 0.4074 (4) | 0.8063 (4) | 0.0367 (17) | |
C3 | 0.5354 (7) | 0.4338 (5) | 0.8628 (5) | 0.056 (2) | |
H3 | 0.5220 | 0.4426 | 0.9131 | 0.067* | |
C4 | 0.6389 (8) | 0.4472 (5) | 0.8446 (6) | 0.071 (3) | |
H4 | 0.6947 | 0.4648 | 0.8830 | 0.085* | |
C5 | 0.6594 (7) | 0.4350 (4) | 0.7717 (6) | 0.057 (2) | |
H5 | 0.7291 | 0.4442 | 0.7601 | 0.068* | |
C6 | 0.5763 (7) | 0.4087 (4) | 0.7143 (6) | 0.057 (2) | |
H6 | 0.5900 | 0.4004 | 0.6640 | 0.068* | |
C7 | 0.4716 (6) | 0.3946 (4) | 0.7323 (5) | 0.046 (2) | |
H7 | 0.4157 | 0.3767 | 0.6942 | 0.055* | |
Si1 | 0.38080 (18) | 0.26238 (11) | 0.85062 (14) | 0.0413 (5) | |
C8 | 0.2914 (9) | 0.2046 (4) | 0.8925 (7) | 0.074 (3) | |
H8A | 0.3241 | 0.1625 | 0.8945 | 0.111* | |
H8B | 0.2184 | 0.2036 | 0.8597 | 0.111* | |
H8C | 0.2856 | 0.2179 | 0.9449 | 0.111* | |
C9 | 0.3943 (9) | 0.2307 (5) | 0.7514 (6) | 0.074 (3) | |
H9A | 0.4382 | 0.1921 | 0.7579 | 0.111* | |
H9B | 0.4302 | 0.2623 | 0.7242 | 0.111* | |
H9C | 0.3215 | 0.2214 | 0.7212 | 0.111* | |
C10 | 0.5221 (8) | 0.2671 (5) | 0.9123 (7) | 0.081 (3) | |
H10A | 0.5681 | 0.2945 | 0.8871 | 0.121* | |
H10B | 0.5542 | 0.2248 | 0.9187 | 0.121* | |
H10C | 0.5173 | 0.2845 | 0.9632 | 0.121* | |
Si2 | 0.2656 (2) | 0.52126 (11) | 0.80587 (15) | 0.0463 (6) | |
C11 | 0.3599 (10) | 0.5420 (5) | 0.7358 (7) | 0.085 (4) | |
H11A | 0.3524 | 0.5869 | 0.7227 | 0.128* | |
H11B | 0.3399 | 0.5168 | 0.6885 | 0.128* | |
H11C | 0.4358 | 0.5330 | 0.7602 | 0.128* | |
C12 | 0.1221 (8) | 0.5421 (5) | 0.7545 (6) | 0.070 (3) | |
H12A | 0.1231 | 0.5828 | 0.7284 | 0.104* | |
H12B | 0.0739 | 0.5447 | 0.7924 | 0.104* | |
H12C | 0.0950 | 0.5095 | 0.7161 | 0.104* | |
C13 | 0.3079 (8) | 0.5690 (4) | 0.8973 (6) | 0.065 (3) | |
H13A | 0.2965 | 0.6139 | 0.8854 | 0.097* | |
H13B | 0.3853 | 0.5614 | 0.9188 | 0.097* | |
H13C | 0.2637 | 0.5564 | 0.9353 | 0.097* | |
N3 | 0.0294 (5) | 0.3042 (3) | 0.9181 (3) | 0.0351 (14) | |
C14 | −0.0022 (5) | 0.2892 (3) | 0.8430 (4) | 0.0312 (16) | |
N4 | 0.0472 (5) | 0.3205 (3) | 0.7915 (3) | 0.0341 (14) | |
C15 | −0.0883 (6) | 0.2381 (4) | 0.8155 (5) | 0.0404 (18) | |
C16 | −0.0595 (7) | 0.1738 (4) | 0.8228 (5) | 0.052 (2) | |
H16 | 0.0130 | 0.1622 | 0.8460 | 0.062* | |
C17 | −0.1363 (9) | 0.1271 (5) | 0.7964 (6) | 0.071 (3) | |
H17 | −0.1159 | 0.0840 | 0.8018 | 0.085* | |
C18 | −0.2437 (9) | 0.1436 (6) | 0.7616 (7) | 0.078 (3) | |
H18 | −0.2954 | 0.1117 | 0.7425 | 0.094* | |
C19 | −0.2735 (8) | 0.2059 (6) | 0.7554 (6) | 0.071 (3) | |
H19 | −0.3467 | 0.2167 | 0.7334 | 0.085* | |
C20 | −0.1964 (6) | 0.2551 (5) | 0.7815 (5) | 0.054 (2) | |
H20 | −0.2176 | 0.2981 | 0.7761 | 0.064* | |
Si3 | −0.01994 (18) | 0.27927 (11) | 1.00247 (13) | 0.0423 (5) | |
C21 | 0.0741 (9) | 0.2157 (5) | 1.0512 (6) | 0.074 (3) | |
H21A | 0.0676 | 0.1783 | 1.0179 | 0.112* | |
H21B | 0.0539 | 0.2047 | 1.1008 | 0.112* | |
H21C | 0.1497 | 0.2309 | 1.0605 | 0.112* | |
C22 | −0.0175 (8) | 0.3488 (4) | 1.0691 (5) | 0.058 (2) | |
H22A | −0.0521 | 0.3373 | 1.1127 | 0.087* | |
H22B | −0.0575 | 0.3840 | 1.0406 | 0.087* | |
H22C | 0.0584 | 0.3615 | 1.0886 | 0.087* | |
C23 | −0.1665 (9) | 0.2502 (7) | 0.9817 (6) | 0.092 (4) | |
H23A | −0.1915 | 0.2436 | 1.0306 | 0.138* | |
H23B | −0.1705 | 0.2103 | 0.9531 | 0.138* | |
H23C | −0.2132 | 0.2816 | 0.9506 | 0.138* | |
Si4 | 0.02677 (19) | 0.31386 (12) | 0.68967 (13) | 0.0444 (6) | |
C24 | 0.1440 (8) | 0.3548 (5) | 0.6574 (5) | 0.059 (3) | |
H24A | 0.1354 | 0.3517 | 0.6010 | 0.088* | |
H24B | 0.2129 | 0.3348 | 0.6819 | 0.088* | |
H24C | 0.1450 | 0.3992 | 0.6726 | 0.088* | |
C25 | 0.0235 (10) | 0.2284 (5) | 0.6558 (6) | 0.087 (4) | |
H25A | 0.0404 | 0.2266 | 0.6036 | 0.130* | |
H25B | −0.0495 | 0.2107 | 0.6548 | 0.130* | |
H25C | 0.0778 | 0.2039 | 0.6914 | 0.130* | |
C26 | −0.1029 (8) | 0.3558 (6) | 0.6430 (6) | 0.091 (4) | |
H26A | −0.1135 | 0.3515 | 0.5866 | 0.137* | |
H26B | −0.0972 | 0.4006 | 0.6569 | 0.137* | |
H26C | −0.1653 | 0.3372 | 0.6614 | 0.137* | |
C27 | 0.0637 (6) | 0.4585 (4) | 0.9150 (5) | 0.044 (2) | |
H27A | 0.0636 | 0.4599 | 0.9712 | 0.053* | |
H27B | 0.1020 | 0.4967 | 0.9018 | 0.053* | |
C28 | −0.0585 (7) | 0.4612 (4) | 0.8701 (7) | 0.066 (3) | |
H28A | −0.0939 | 0.4991 | 0.8857 | 0.099* | |
H28B | −0.0977 | 0.4237 | 0.8824 | 0.099* | |
H28C | −0.0598 | 0.4627 | 0.8143 | 0.099* | |
C29 | 0.2607 (7) | 0.3572 (4) | 1.0141 (5) | 0.051 (2) | |
H29A | 0.2113 | 0.3620 | 1.0517 | 0.062* | |
H29B | 0.2897 | 0.3136 | 1.0187 | 0.062* | |
C30 | 0.3567 (9) | 0.4037 (5) | 1.0353 (6) | 0.073 (3) | |
H30A | 0.3860 | 0.4013 | 1.0910 | 0.080* | |
H30B | 0.3309 | 0.4466 | 1.0217 | 0.080* | |
H30C | 0.4142 | 0.3927 | 1.0066 | 0.080* |
U11 | U22 | U33 | U12 | U13 | U23 | |
Hf1 | 0.02409 (14) | 0.03094 (16) | 0.03047 (16) | −0.00067 (15) | 0.00483 (10) | −0.00339 (15) |
N1 | 0.033 (3) | 0.028 (3) | 0.045 (4) | 0.001 (3) | 0.011 (3) | −0.004 (3) |
C1 | 0.030 (4) | 0.039 (4) | 0.033 (4) | −0.004 (3) | 0.003 (3) | −0.006 (3) |
N2 | 0.036 (3) | 0.033 (3) | 0.041 (4) | 0.001 (3) | 0.014 (3) | 0.001 (3) |
C2 | 0.033 (4) | 0.035 (4) | 0.046 (5) | 0.000 (3) | 0.016 (3) | −0.009 (4) |
C3 | 0.044 (5) | 0.075 (7) | 0.050 (5) | −0.013 (5) | 0.012 (4) | −0.023 (5) |
C4 | 0.042 (5) | 0.087 (8) | 0.085 (8) | −0.014 (5) | 0.017 (5) | −0.029 (6) |
C5 | 0.041 (5) | 0.052 (5) | 0.086 (7) | −0.012 (4) | 0.034 (5) | −0.018 (5) |
C6 | 0.055 (5) | 0.057 (6) | 0.070 (6) | −0.015 (5) | 0.041 (5) | −0.015 (5) |
C7 | 0.039 (4) | 0.050 (5) | 0.050 (5) | −0.010 (4) | 0.014 (4) | −0.012 (4) |
Si1 | 0.0387 (12) | 0.0371 (12) | 0.0503 (14) | 0.0080 (10) | 0.0139 (10) | −0.0012 (10) |
C8 | 0.091 (8) | 0.041 (5) | 0.105 (9) | 0.013 (5) | 0.056 (7) | 0.015 (5) |
C9 | 0.098 (8) | 0.056 (6) | 0.078 (7) | 0.009 (6) | 0.037 (6) | −0.009 (5) |
C10 | 0.063 (6) | 0.065 (7) | 0.106 (9) | 0.025 (5) | −0.002 (6) | −0.002 (6) |
Si2 | 0.0489 (13) | 0.0315 (12) | 0.0627 (15) | −0.0028 (10) | 0.0210 (12) | 0.0027 (11) |
C11 | 0.103 (9) | 0.052 (6) | 0.116 (10) | 0.009 (6) | 0.060 (8) | 0.028 (6) |
C12 | 0.082 (7) | 0.048 (6) | 0.077 (7) | 0.008 (5) | 0.011 (6) | 0.017 (5) |
C13 | 0.061 (6) | 0.038 (5) | 0.096 (8) | −0.012 (4) | 0.018 (5) | −0.016 (5) |
N3 | 0.036 (3) | 0.034 (3) | 0.035 (4) | −0.001 (3) | 0.008 (3) | 0.002 (3) |
C14 | 0.025 (3) | 0.030 (4) | 0.038 (4) | −0.002 (3) | 0.004 (3) | −0.010 (3) |
N4 | 0.036 (3) | 0.035 (3) | 0.030 (3) | −0.007 (3) | 0.002 (3) | −0.006 (3) |
C15 | 0.033 (4) | 0.048 (5) | 0.041 (4) | −0.008 (4) | 0.009 (3) | 0.001 (4) |
C16 | 0.052 (5) | 0.036 (5) | 0.070 (6) | −0.004 (4) | 0.019 (4) | −0.009 (4) |
C17 | 0.084 (7) | 0.042 (5) | 0.091 (7) | −0.022 (6) | 0.030 (6) | −0.019 (6) |
C18 | 0.077 (8) | 0.074 (8) | 0.082 (8) | −0.039 (6) | 0.011 (6) | −0.012 (6) |
C19 | 0.046 (5) | 0.101 (9) | 0.060 (6) | −0.026 (6) | −0.004 (5) | 0.004 (6) |
C20 | 0.035 (5) | 0.063 (6) | 0.060 (6) | −0.006 (4) | 0.003 (4) | −0.001 (5) |
Si3 | 0.0427 (12) | 0.0470 (13) | 0.0391 (12) | −0.0057 (10) | 0.0126 (10) | 0.0029 (10) |
C21 | 0.112 (9) | 0.062 (6) | 0.057 (6) | 0.014 (6) | 0.035 (6) | 0.018 (5) |
C22 | 0.078 (6) | 0.058 (6) | 0.046 (5) | −0.001 (5) | 0.031 (5) | 0.007 (4) |
C23 | 0.073 (7) | 0.143 (12) | 0.072 (7) | −0.035 (7) | 0.043 (6) | −0.011 (7) |
Si4 | 0.0467 (13) | 0.0528 (14) | 0.0322 (12) | −0.0106 (11) | 0.0040 (10) | −0.0042 (10) |
C24 | 0.066 (6) | 0.072 (7) | 0.042 (5) | −0.017 (5) | 0.016 (4) | −0.004 (4) |
C25 | 0.131 (10) | 0.076 (8) | 0.060 (7) | −0.035 (7) | 0.035 (7) | −0.019 (6) |
C26 | 0.067 (7) | 0.150 (12) | 0.051 (6) | 0.005 (7) | −0.006 (5) | 0.040 (7) |
C27 | 0.047 (5) | 0.038 (4) | 0.051 (5) | −0.004 (4) | 0.019 (4) | −0.011 (4) |
C28 | 0.038 (5) | 0.043 (5) | 0.116 (9) | 0.004 (4) | 0.014 (5) | −0.013 (5) |
C29 | 0.045 (5) | 0.072 (6) | 0.037 (4) | 0.000 (4) | 0.006 (4) | 0.000 (4) |
C30 | 0.088 (8) | 0.067 (7) | 0.051 (6) | −0.020 (6) | −0.017 (5) | −0.002 (5) |
Hf1—C27 | 2.244 (7) | C14—N4 | 1.334 (9) |
Hf1—C29 | 2.261 (8) | C14—C15 | 1.505 (10) |
Hf1—N1 | 2.255 (6) | N4—Si4 | 1.731 (6) |
Hf1—N4 | 2.256 (5) | C15—C20 | 1.383 (11) |
Hf1—N3 | 2.258 (6) | C15—C16 | 1.382 (11) |
Hf1—N2 | 2.279 (6) | C16—C17 | 1.367 (12) |
Hf1—C1 | 2.634 (7) | C16—H16 | 0.9300 |
Hf1—C14 | 2.646 (7) | C17—C18 | 1.376 (15) |
N1—C1 | 1.320 (9) | C17—H17 | 0.9300 |
N1—Si1 | 1.725 (6) | C18—C19 | 1.345 (15) |
C1—N2 | 1.331 (9) | C18—H18 | 0.9300 |
C1—C2 | 1.531 (10) | C19—C20 | 1.404 (12) |
N2—Si2 | 1.735 (6) | C19—H19 | 0.9300 |
C2—C7 | 1.366 (10) | C20—H20 | 0.9300 |
C2—C3 | 1.379 (11) | Si3—C21 | 1.845 (10) |
C3—C4 | 1.386 (12) | Si3—C22 | 1.843 (9) |
C3—H3 | 0.9300 | Si3—C23 | 1.857 (10) |
C4—C5 | 1.351 (12) | C21—H21A | 0.9600 |
C4—H4 | 0.9300 | C21—H21B | 0.9600 |
C5—C6 | 1.387 (12) | C21—H21C | 0.9600 |
C5—H5 | 0.9300 | C22—H22A | 0.9600 |
C6—C7 | 1.402 (10) | C22—H22B | 0.9600 |
C6—H6 | 0.9300 | C22—H22C | 0.9600 |
C7—H7 | 0.9300 | C23—H23A | 0.9600 |
Si1—C10 | 1.848 (10) | C23—H23B | 0.9600 |
Si1—C8 | 1.858 (9) | C23—H23C | 0.9600 |
Si1—C9 | 1.868 (10) | Si4—C24 | 1.839 (9) |
C8—H8A | 0.9600 | Si4—C26 | 1.851 (10) |
C8—H8B | 0.9600 | Si4—C25 | 1.869 (10) |
C8—H8C | 0.9600 | C24—H24A | 0.9600 |
C9—H9A | 0.9600 | C24—H24B | 0.9600 |
C9—H9B | 0.9600 | C24—H24C | 0.9600 |
C9—H9C | 0.9600 | C25—H25A | 0.9600 |
C10—H10A | 0.9600 | C25—H25B | 0.9600 |
C10—H10B | 0.9600 | C25—H25C | 0.9600 |
C10—H10C | 0.9600 | C26—H26A | 0.9600 |
Si2—C13 | 1.851 (9) | C26—H26B | 0.9600 |
Si2—C12 | 1.857 (10) | C26—H26C | 0.9600 |
Si2—C11 | 1.871 (10) | C27—C28 | 1.544 (11) |
C11—H11A | 0.9600 | C27—H27A | 0.9700 |
C11—H11B | 0.9600 | C27—H27B | 0.9700 |
C11—H11C | 0.9600 | C28—H28A | 0.9600 |
C12—H12A | 0.9600 | C28—H28B | 0.9600 |
C12—H12B | 0.9600 | C28—H28C | 0.9600 |
C12—H12C | 0.9600 | C29—C30 | 1.509 (12) |
C13—H13A | 0.9600 | C29—H29A | 0.9700 |
C13—H13B | 0.9600 | C29—H29B | 0.9700 |
C13—H13C | 0.9600 | C30—H30A | 0.9600 |
N3—C14 | 1.316 (9) | C30—H30B | 0.9600 |
N3—Si3 | 1.755 (6) | C30—H30C | 0.9600 |
C27—Hf1—C29 | 98.1 (3) | H13A—C13—H13C | 109.5 |
C27—Hf1—N1 | 146.6 (3) | H13B—C13—H13C | 109.5 |
C29—Hf1—N1 | 88.0 (3) | C14—N3—Si3 | 131.5 (5) |
C27—Hf1—N4 | 104.3 (3) | C14—N3—Hf1 | 91.6 (4) |
C29—Hf1—N4 | 142.3 (3) | Si3—N3—Hf1 | 136.9 (3) |
N1—Hf1—N4 | 89.6 (2) | N3—C14—N4 | 116.9 (6) |
C27—Hf1—N3 | 91.9 (3) | N3—C14—C15 | 122.2 (7) |
C29—Hf1—N3 | 89.6 (3) | N4—C14—C15 | 120.9 (6) |
N1—Hf1—N3 | 121.1 (2) | N3—C14—Hf1 | 58.5 (4) |
N4—Hf1—N3 | 60.0 (2) | N4—C14—Hf1 | 58.5 (3) |
C27—Hf1—N2 | 86.9 (3) | C15—C14—Hf1 | 175.4 (5) |
C29—Hf1—N2 | 106.3 (3) | C14—N4—Si4 | 129.7 (5) |
N1—Hf1—N2 | 60.0 (2) | C14—N4—Hf1 | 91.3 (4) |
N4—Hf1—N2 | 104.9 (2) | Si4—N4—Hf1 | 138.9 (3) |
N3—Hf1—N2 | 164.1 (2) | C20—C15—C16 | 119.4 (8) |
C27—Hf1—C1 | 116.6 (3) | C20—C15—C14 | 120.4 (7) |
C29—Hf1—C1 | 94.7 (3) | C16—C15—C14 | 120.2 (7) |
N1—Hf1—C1 | 30.1 (2) | C17—C16—C15 | 120.7 (9) |
N4—Hf1—C1 | 101.8 (2) | C17—C16—H16 | 119.7 |
N3—Hf1—C1 | 150.2 (2) | C15—C16—H16 | 119.7 |
N2—Hf1—C1 | 30.4 (2) | C16—C17—C18 | 120.3 (10) |
C27—Hf1—C14 | 100.5 (2) | C16—C17—H17 | 119.9 |
C29—Hf1—C14 | 116.2 (3) | C18—C17—H17 | 119.9 |
N1—Hf1—C14 | 106.1 (2) | C19—C18—C17 | 119.7 (9) |
N4—Hf1—C14 | 30.3 (2) | C19—C18—H18 | 120.2 |
N3—Hf1—C14 | 29.8 (2) | C17—C18—H18 | 120.2 |
N2—Hf1—C14 | 135.1 (2) | C18—C19—C20 | 121.5 (10) |
C1—Hf1—C14 | 127.7 (2) | C18—C19—H19 | 119.3 |
C1—N1—Si1 | 132.5 (5) | C20—C19—H19 | 119.3 |
C1—N1—Hf1 | 91.1 (4) | C15—C20—C19 | 118.4 (9) |
Si1—N1—Hf1 | 134.6 (3) | C15—C20—H20 | 120.8 |
N1—C1—N2 | 117.6 (6) | C19—C20—H20 | 120.8 |
N1—C1—C2 | 120.8 (6) | N3—Si3—C21 | 107.9 (4) |
N2—C1—C2 | 121.7 (7) | N3—Si3—C22 | 108.4 (3) |
N1—C1—Hf1 | 58.8 (4) | C21—Si3—C22 | 110.1 (5) |
N2—C1—Hf1 | 59.9 (4) | N3—Si3—C23 | 114.0 (4) |
C2—C1—Hf1 | 169.2 (5) | C21—Si3—C23 | 110.3 (6) |
C1—N2—Si2 | 131.4 (5) | C22—Si3—C23 | 106.0 (5) |
C1—N2—Hf1 | 89.8 (4) | Si3—C21—H21A | 109.5 |
Si2—N2—Hf1 | 138.1 (3) | Si3—C21—H21B | 109.5 |
C7—C2—C3 | 120.1 (7) | H21A—C21—H21B | 109.5 |
C7—C2—C1 | 120.6 (7) | Si3—C21—H21C | 109.5 |
C3—C2—C1 | 119.3 (7) | H21A—C21—H21C | 109.5 |
C2—C3—C4 | 120.0 (8) | H21B—C21—H21C | 109.5 |
C2—C3—H3 | 120.0 | Si3—C22—H22A | 109.5 |
C4—C3—H3 | 120.0 | Si3—C22—H22B | 109.5 |
C5—C4—C3 | 120.7 (9) | H22A—C22—H22B | 109.5 |
C5—C4—H4 | 119.6 | Si3—C22—H22C | 109.5 |
C3—C4—H4 | 119.6 | H22A—C22—H22C | 109.5 |
C4—C5—C6 | 119.8 (8) | H22B—C22—H22C | 109.5 |
C4—C5—H5 | 120.1 | Si3—C23—H23A | 109.5 |
C6—C5—H5 | 120.1 | Si3—C23—H23B | 109.5 |
C5—C6—C7 | 119.8 (8) | H23A—C23—H23B | 109.5 |
C5—C6—H6 | 120.1 | Si3—C23—H23C | 109.5 |
C7—C6—H6 | 120.1 | H23A—C23—H23C | 109.5 |
C2—C7—C6 | 119.6 (8) | H23B—C23—H23C | 109.5 |
C2—C7—H7 | 120.2 | N4—Si4—C24 | 107.4 (3) |
C6—C7—H7 | 120.2 | N4—Si4—C26 | 110.4 (4) |
N1—Si1—C10 | 113.0 (4) | C24—Si4—C26 | 107.5 (5) |
N1—Si1—C8 | 105.4 (4) | N4—Si4—C25 | 112.5 (4) |
C10—Si1—C8 | 111.3 (5) | C24—Si4—C25 | 108.5 (5) |
N1—Si1—C9 | 112.2 (4) | C26—Si4—C25 | 110.3 (6) |
C10—Si1—C9 | 108.0 (5) | Si4—C24—H24A | 109.5 |
C8—Si1—C9 | 106.8 (5) | Si4—C24—H24B | 109.5 |
Si1—C8—H8A | 109.5 | H24A—C24—H24B | 109.5 |
Si1—C8—H8B | 109.5 | Si4—C24—H24C | 109.5 |
H8A—C8—H8B | 109.5 | H24A—C24—H24C | 109.5 |
Si1—C8—H8C | 109.5 | H24B—C24—H24C | 109.5 |
H8A—C8—H8C | 109.5 | Si4—C25—H25A | 109.5 |
H8B—C8—H8C | 109.5 | Si4—C25—H25B | 109.5 |
Si1—C9—H9A | 109.5 | H25A—C25—H25B | 109.5 |
Si1—C9—H9B | 109.5 | Si4—C25—H25C | 109.5 |
H9A—C9—H9B | 109.5 | H25A—C25—H25C | 109.5 |
Si1—C9—H9C | 109.5 | H25B—C25—H25C | 109.5 |
H9A—C9—H9C | 109.5 | Si4—C26—H26A | 109.5 |
H9B—C9—H9C | 109.5 | Si4—C26—H26B | 109.5 |
Si1—C10—H10A | 109.5 | H26A—C26—H26B | 109.5 |
Si1—C10—H10B | 109.5 | Si4—C26—H26C | 109.5 |
H10A—C10—H10B | 109.5 | H26A—C26—H26C | 109.5 |
Si1—C10—H10C | 109.5 | H26B—C26—H26C | 109.5 |
H10A—C10—H10C | 109.5 | C28—C27—Hf1 | 115.7 (5) |
H10B—C10—H10C | 109.5 | C28—C27—H27A | 108.4 |
N2—Si2—C13 | 109.9 (4) | Hf1—C27—H27A | 108.4 |
N2—Si2—C12 | 106.5 (4) | C28—C27—H27B | 108.4 |
C13—Si2—C12 | 111.4 (5) | Hf1—C27—H27B | 108.4 |
N2—Si2—C11 | 114.2 (4) | H27A—C27—H27B | 107.4 |
C13—Si2—C11 | 108.7 (5) | C27—C28—H28A | 109.5 |
C12—Si2—C11 | 106.2 (5) | C27—C28—H28B | 109.5 |
Si2—C11—H11A | 109.5 | H28A—C28—H28B | 109.5 |
Si2—C11—H11B | 109.5 | C27—C28—H28C | 109.5 |
H11A—C11—H11B | 109.5 | H28A—C28—H28C | 109.5 |
Si2—C11—H11C | 109.5 | H28B—C28—H28C | 109.5 |
H11A—C11—H11C | 109.5 | C30—C29—Hf1 | 113.1 (6) |
H11B—C11—H11C | 109.5 | C30—C29—H29A | 109.0 |
Si2—C12—H12A | 109.5 | Hf1—C29—H29A | 109.0 |
Si2—C12—H12B | 109.5 | C30—C29—H29B | 109.0 |
H12A—C12—H12B | 109.5 | Hf1—C29—H29B | 109.0 |
Si2—C12—H12C | 109.5 | H29A—C29—H29B | 107.8 |
H12A—C12—H12C | 109.5 | C29—C30—H30A | 109.5 |
H12B—C12—H12C | 109.5 | C29—C30—H30B | 109.5 |
Si2—C13—H13A | 109.5 | H30A—C30—H30B | 109.5 |
Si2—C13—H13B | 109.5 | C29—C30—H30C | 109.5 |
H13A—C13—H13B | 109.5 | H30A—C30—H30C | 109.5 |
Si2—C13—H13C | 109.5 | H30B—C30—H30C | 109.5 |
Subscribe to Acta Crystallographica Section E: Crystallographic Communications
The full text of this article is available to subscribers to the journal.
- Information on subscribing
- Sample issue
- If you have already subscribed, you may need to register