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The mol­ecule of the title compound, [Cr(C6H5SiMe3)2], has approximate C2h symmetry. The two aromatic ring systems are arranged almost ideally parallel to each other; the angle between the least-squares planes of the six-membereed rings is 0.75 (12)°. The two Me3Si substituents exhibit an anti arrangement, with a pseudo-torsion angle of 178.4 (2)°.

Supporting information

cif

Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536806049154/ng2156sup1.cif
Contains datablocks global, I

hkl

Structure factor file (CIF format) https://doi.org/10.1107/S1600536806049154/ng2156Isup2.hkl
Contains datablock I

CCDC reference: 630191

Key indicators

  • Single-crystal X-ray study
  • T = 100 K
  • Mean [sigma](C-C) = 0.003 Å
  • R factor = 0.024
  • wR factor = 0.067
  • Data-to-parameter ratio = 18.4

checkCIF/PLATON results

No syntax errors found



Alert level C PLAT029_ALERT_3_C _diffrn_measured_fraction_theta_full Low ....... 0.97
Alert level G REFLT03_ALERT_4_G Please check that the estimate of the number of Friedel pairs is correct. If it is not, please give the correct count in the _publ_section_exptl_refinement section of the submitted CIF. From the CIF: _diffrn_reflns_theta_max 26.03 From the CIF: _reflns_number_total 3490 Count of symmetry unique reflns 2099 Completeness (_total/calc) 166.27% TEST3: Check Friedels for noncentro structure Estimate of Friedel pairs measured 1391 Fraction of Friedel pairs measured 0.663 Are heavy atom types Z>Si present yes
0 ALERT level A = In general: serious problem 0 ALERT level B = Potentially serious problem 1 ALERT level C = Check and explain 1 ALERT level G = General alerts; check 0 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 0 ALERT type 2 Indicator that the structure model may be wrong or deficient 1 ALERT type 3 Indicator that the structure quality may be low 1 ALERT type 4 Improvement, methodology, query or suggestion 0 ALERT type 5 Informative message, check

Computing details top

Data collection: APEX2 (Bruker, 2004); cell refinement: SAINT-Plus (Bruker, 2004); data reduction: SAINT-Plus; program(s) used to solve structure: SHELXS97 (Sheldrick, 1997); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: ORTEP in SHELTLTL (Bruker, 1998); software used to prepare material for publication: SHELXL97.

(I) top
Crystal data top
[Cr(C9H14Si)2]F(000) = 752
Mr = 352.58Dx = 1.270 Mg m3
Orthorhombic, P212121Mo Kα radiation, λ = 0.71073 Å
Hall symbol: P 2ac 2abCell parameters from 4816 reflections
a = 6.4586 (2) Åθ = 2.7–26.0°
b = 16.7064 (6) ŵ = 0.74 mm1
c = 17.0965 (6) ÅT = 100 K
V = 1844.71 (11) Å3Needle, orange
Z = 40.25 × 0.09 × 0.04 mm
Data collection top
Bruker APEX2 area-detector
diffractometer
3490 independent reflections
Radiation source: rotating anode3230 reflections with I > 2σ(I)
Multi-layer mirror monochromatorRint = 0.030
φ and ω scansθmax = 26.0°, θmin = 2.4°
Absorption correction: multi-scan
(SADABS; Sheldrick, 1996)
h = 77
Tmin = 0.836, Tmax = 0.975k = 2018
8279 measured reflectionsl = 2017
Refinement top
Refinement on F2Secondary atom site location: difference Fourier map
Least-squares matrix: fullHydrogen site location: inferred from neighbouring sites
R[F2 > 2σ(F2)] = 0.024H-atom parameters constrained
wR(F2) = 0.067 w = 1/[σ2(Fo2) + (0.0304P)2 + 0.1864P]
where P = (Fo2 + 2Fc2)/3
S = 1.08(Δ/σ)max = 0.002
3490 reflectionsΔρmax = 0.37 e Å3
190 parametersΔρmin = 0.22 e Å3
0 restraintsAbsolute structure: Flack (1983), 1446 Friedel pairs
Primary atom site location: structure-invariant direct methodsAbsolute structure parameter: 0.003 (17)
Special details top

Experimental. 1H NMR (200 MHz, C6D6, 298 K): δ 0.27 (s, 18H, SiMe3), 4.21–4.26 (m, 4H, C6H5), 4.34 (m, 6H, C6H5).

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.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top
xyzUiso*/Ueq
Cr10.20358 (5)0.401401 (19)0.382439 (18)0.01051 (9)
Si10.17410 (10)0.19701 (3)0.29508 (3)0.01382 (14)
C10.3158 (4)0.22168 (14)0.20288 (12)0.0223 (5)
H1A0.28330.18160.16290.033*
H1B0.46520.22160.21300.033*
H1C0.27330.27470.18440.033*
Si20.23039 (9)0.59753 (3)0.47780 (3)0.01335 (13)
C20.2631 (4)0.09619 (12)0.32887 (13)0.0220 (5)
H2A0.23490.05640.28810.033*
H2B0.18890.08150.37670.033*
H2C0.41220.09790.33950.033*
C30.1104 (4)0.19395 (14)0.27602 (13)0.0202 (5)
H3A0.13960.15490.23470.030*
H3B0.15780.24700.25940.030*
H3C0.18320.17830.32390.030*
C40.5089 (3)0.58934 (13)0.50617 (13)0.0187 (5)
H4A0.53690.62500.55040.028*
H4B0.59620.60460.46170.028*
H4C0.53980.53400.52130.028*
C50.1763 (4)0.70327 (13)0.44853 (13)0.0219 (5)
H5A0.20480.73900.49270.033*
H5B0.03060.70840.43320.033*
H5C0.26500.71790.40430.033*
C60.0646 (4)0.57160 (14)0.56335 (13)0.0218 (5)
H6A0.09570.60790.60680.033*
H6B0.09250.51630.57940.033*
H6C0.08150.57690.54880.033*
C110.2297 (3)0.27179 (11)0.37406 (12)0.0132 (4)
C120.4284 (3)0.30704 (12)0.38292 (13)0.0144 (4)
H12A0.53410.29450.34630.017*
C130.4725 (4)0.36016 (13)0.44463 (13)0.0162 (5)
H13A0.60700.38260.44960.019*
C140.3164 (4)0.37998 (12)0.49899 (12)0.0161 (5)
H14A0.34550.41580.54070.019*
C150.1182 (4)0.34670 (12)0.49122 (13)0.0161 (5)
H15A0.01240.36020.52750.019*
C160.0762 (3)0.29299 (12)0.42935 (12)0.0138 (5)
H16A0.05850.27060.42480.017*
C210.1759 (3)0.52965 (11)0.39308 (12)0.0131 (4)
C220.3324 (4)0.51008 (12)0.33785 (12)0.0151 (5)
H22A0.46660.53270.34340.018*
C230.2924 (4)0.45752 (12)0.27475 (12)0.0170 (5)
H23A0.39910.44510.23850.020*
C240.0946 (4)0.42359 (13)0.26570 (13)0.0181 (5)
H24A0.06760.38840.22330.022*
C250.0630 (4)0.44184 (13)0.31945 (13)0.0171 (5)
H25A0.19630.41860.31360.021*
C260.0236 (3)0.49469 (12)0.38218 (13)0.0137 (4)
H26A0.13190.50720.41780.016*
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
Cr10.01369 (17)0.00839 (15)0.00944 (17)0.00043 (13)0.00031 (13)0.00023 (12)
Si10.0150 (3)0.0126 (3)0.0139 (3)0.0010 (2)0.0016 (2)0.0032 (2)
C10.0204 (13)0.0269 (12)0.0195 (12)0.0024 (10)0.0026 (11)0.0044 (9)
Si20.0152 (3)0.0108 (3)0.0140 (3)0.0009 (2)0.0007 (2)0.0008 (2)
C20.0292 (15)0.0122 (10)0.0246 (12)0.0020 (11)0.0062 (10)0.0044 (10)
C30.0176 (12)0.0214 (12)0.0215 (13)0.0020 (10)0.0029 (9)0.0049 (10)
C40.0178 (12)0.0152 (12)0.0231 (12)0.0009 (9)0.0024 (9)0.0004 (10)
C50.0303 (14)0.0151 (11)0.0204 (12)0.0060 (11)0.0051 (10)0.0024 (9)
C60.0206 (14)0.0263 (13)0.0183 (13)0.0028 (10)0.0007 (10)0.0035 (10)
C110.0194 (12)0.0072 (9)0.0130 (11)0.0015 (8)0.0018 (9)0.0009 (8)
C120.0156 (11)0.0108 (10)0.0168 (12)0.0043 (9)0.0001 (9)0.0024 (9)
C130.0173 (13)0.0108 (10)0.0205 (12)0.0001 (9)0.0071 (9)0.0025 (9)
C140.0257 (13)0.0112 (10)0.0115 (10)0.0009 (9)0.0054 (10)0.0011 (8)
C150.0245 (13)0.0123 (11)0.0116 (11)0.0033 (9)0.0026 (9)0.0025 (9)
C160.0169 (12)0.0096 (10)0.0149 (11)0.0016 (9)0.0015 (9)0.0036 (9)
C210.0165 (11)0.0084 (10)0.0143 (11)0.0017 (8)0.0010 (9)0.0017 (8)
C220.0204 (13)0.0095 (10)0.0154 (12)0.0012 (9)0.0011 (10)0.0042 (8)
C230.0275 (13)0.0128 (10)0.0106 (11)0.0016 (10)0.0031 (10)0.0041 (8)
C240.0315 (14)0.0126 (11)0.0103 (12)0.0037 (10)0.0067 (10)0.0009 (8)
C250.0187 (13)0.0143 (11)0.0183 (12)0.0023 (9)0.0073 (10)0.0024 (9)
C260.0122 (11)0.0132 (10)0.0158 (12)0.0038 (8)0.0021 (9)0.0003 (9)
Geometric parameters (Å, º) top
Cr1—C222.138 (2)C4—H4B0.9800
Cr1—C252.140 (2)C4—H4C0.9800
Cr1—C262.140 (2)C5—H5A0.9800
Cr1—C122.143 (2)C5—H5B0.9800
Cr1—C232.144 (2)C5—H5C0.9800
Cr1—C152.144 (2)C6—H6A0.9800
Cr1—C162.145 (2)C6—H6B0.9800
Cr1—C242.148 (2)C6—H6C0.9800
Cr1—C132.150 (2)C11—C161.415 (3)
Cr1—C142.152 (2)C11—C121.420 (3)
Cr1—C212.1578 (19)C12—C131.408 (3)
Cr1—C112.1766 (19)C12—H12A0.9500
Si1—C31.867 (2)C13—C141.411 (3)
Si1—C11.869 (2)C13—H13A0.9500
Si1—C21.871 (2)C14—C151.402 (3)
Si1—C111.874 (2)C14—H14A0.9500
C1—H1A0.9800C15—C161.413 (3)
C1—H1B0.9800C15—H15A0.9500
C1—H1C0.9800C16—H16A0.9500
Si2—C61.864 (2)C21—C221.422 (3)
Si2—C41.868 (2)C21—C261.427 (3)
Si2—C51.869 (2)C22—C231.415 (3)
Si2—C211.873 (2)C22—H22A0.9500
C2—H2A0.9800C23—C241.406 (3)
C2—H2B0.9800C23—H23A0.9500
C2—H2C0.9800C24—C251.405 (3)
C3—H3A0.9800C24—H24A0.9500
C3—H3B0.9800C25—C261.412 (3)
C3—H3C0.9800C25—H25A0.9500
C4—H4A0.9800C26—H26A0.9500
C22—Cr1—C2582.28 (9)Si1—C3—H3C109.5
C22—Cr1—C2669.37 (9)H3A—C3—H3C109.5
C25—Cr1—C2638.53 (8)H3B—C3—H3C109.5
C22—Cr1—C12111.24 (8)Si2—C4—H4A109.5
C25—Cr1—C12141.18 (8)Si2—C4—H4B109.5
C26—Cr1—C12179.37 (9)H4A—C4—H4B109.5
C22—Cr1—C2338.59 (8)Si2—C4—H4C109.5
C25—Cr1—C2369.21 (9)H4A—C4—H4C109.5
C26—Cr1—C2382.14 (9)H4B—C4—H4C109.5
C12—Cr1—C2398.26 (9)Si2—C5—H5A109.5
C22—Cr1—C15140.47 (8)Si2—C5—H5B109.5
C25—Cr1—C15111.35 (9)H5A—C5—H5B109.5
C26—Cr1—C1597.81 (9)Si2—C5—H5C109.5
C12—Cr1—C1581.80 (8)H5A—C5—H5C109.5
C23—Cr1—C15179.00 (9)H5B—C5—H5C109.5
C22—Cr1—C16178.92 (9)Si2—C6—H6A109.5
C25—Cr1—C1698.40 (8)Si2—C6—H6B109.5
C26—Cr1—C16110.65 (8)H6A—C6—H6B109.5
C12—Cr1—C1668.74 (8)Si2—C6—H6C109.5
C23—Cr1—C16142.46 (8)H6A—C6—H6C109.5
C15—Cr1—C1638.48 (8)H6B—C6—H6C109.5
C22—Cr1—C2469.50 (8)C16—C11—C12117.27 (19)
C25—Cr1—C2438.24 (9)C16—C11—Si1120.91 (16)
C26—Cr1—C2469.39 (8)C12—C11—Si1121.78 (16)
C12—Cr1—C24110.63 (8)C16—C11—Cr169.68 (12)
C23—Cr1—C2438.23 (9)C12—C11—Cr169.54 (11)
C15—Cr1—C24142.66 (9)Si1—C11—Cr1134.08 (10)
C16—Cr1—C24111.55 (8)C13—C12—C11121.6 (2)
C22—Cr1—C1397.70 (9)C13—C12—Cr171.12 (12)
C25—Cr1—C13179.40 (9)C11—C12—Cr172.09 (12)
C26—Cr1—C13142.01 (8)C13—C12—H12A119.2
C12—Cr1—C1338.28 (8)C11—C12—H12A119.2
C23—Cr1—C13110.40 (9)Cr1—C12—H12A130.3
C15—Cr1—C1369.04 (9)C12—C13—C14119.8 (2)
C16—Cr1—C1381.63 (8)C12—C13—Cr170.60 (12)
C24—Cr1—C13141.19 (9)C14—C13—Cr170.93 (13)
C22—Cr1—C14109.85 (8)C12—C13—H13A120.1
C25—Cr1—C14142.28 (9)C14—C13—H13A120.1
C26—Cr1—C14110.81 (8)Cr1—C13—H13A131.1
C12—Cr1—C1469.18 (8)C15—C14—C13119.8 (2)
C23—Cr1—C14141.01 (9)C15—C14—Cr170.66 (13)
C15—Cr1—C1438.10 (8)C13—C14—Cr170.79 (12)
C16—Cr1—C1469.10 (8)C15—C14—H14A120.1
C24—Cr1—C14179.24 (10)C13—C14—H14A120.1
C13—Cr1—C1438.28 (9)Cr1—C14—H14A131.2
C22—Cr1—C2138.65 (8)C14—C15—C16119.9 (2)
C25—Cr1—C2170.26 (8)C14—C15—Cr171.24 (13)
C26—Cr1—C2138.77 (8)C16—C15—Cr170.79 (12)
C12—Cr1—C21141.83 (8)C14—C15—H15A120.1
C23—Cr1—C2170.15 (8)C16—C15—H15A120.1
C15—Cr1—C21109.19 (8)Cr1—C15—H15A130.5
C16—Cr1—C21140.82 (8)C15—C16—C11121.6 (2)
C24—Cr1—C2183.10 (8)C15—C16—Cr170.73 (12)
C13—Cr1—C21110.09 (8)C11—C16—Cr172.10 (12)
C14—Cr1—C2196.61 (8)C15—C16—H16A119.2
C22—Cr1—C11142.30 (9)C11—C16—H16A119.2
C25—Cr1—C11110.08 (8)Cr1—C16—H16A130.8
C26—Cr1—C11141.02 (9)C22—C21—C26117.47 (19)
C12—Cr1—C1138.37 (8)C22—C21—Si2121.28 (17)
C23—Cr1—C11110.96 (8)C26—C21—Si2121.24 (16)
C15—Cr1—C1169.70 (8)C22—C21—Cr169.92 (12)
C16—Cr1—C1138.22 (8)C26—C21—Cr169.96 (11)
C24—Cr1—C1197.81 (8)Si2—C21—Cr1130.61 (11)
C13—Cr1—C1169.58 (8)C23—C22—C21121.3 (2)
C14—Cr1—C1182.49 (8)C23—C22—Cr170.95 (12)
C21—Cr1—C11178.89 (8)C21—C22—Cr171.43 (12)
C3—Si1—C1109.93 (11)C23—C22—H22A119.4
C3—Si1—C2109.37 (11)C21—C22—H22A119.4
C1—Si1—C2107.97 (10)Cr1—C22—H22A131.1
C3—Si1—C11109.43 (10)C24—C23—C22120.0 (2)
C1—Si1—C11111.51 (10)C24—C23—Cr171.05 (13)
C2—Si1—C11108.59 (9)C22—C23—Cr170.46 (12)
Si1—C1—H1A109.5C24—C23—H23A120.0
Si1—C1—H1B109.5C22—C23—H23A120.0
H1A—C1—H1B109.5Cr1—C23—H23A131.3
Si1—C1—H1C109.5C25—C24—C23119.9 (2)
H1A—C1—H1C109.5C25—C24—Cr170.55 (12)
H1B—C1—H1C109.5C23—C24—Cr170.72 (12)
C6—Si2—C4109.41 (11)C25—C24—H24A120.0
C6—Si2—C5108.81 (11)C23—C24—H24A120.0
C4—Si2—C5108.60 (11)Cr1—C24—H24A131.5
C6—Si2—C21110.99 (10)C24—C25—C26120.1 (2)
C4—Si2—C21109.72 (10)C24—C25—Cr171.20 (13)
C5—Si2—C21109.27 (9)C26—C25—Cr170.75 (12)
Si1—C2—H2A109.5C24—C25—H25A119.9
Si1—C2—H2B109.5C26—C25—H25A119.9
H2A—C2—H2B109.5Cr1—C25—H25A130.8
Si1—C2—H2C109.5C25—C26—C21121.2 (2)
H2A—C2—H2C109.5C25—C26—Cr170.72 (12)
H2B—C2—H2C109.5C21—C26—Cr171.27 (12)
Si1—C3—H3A109.5C25—C26—H26A119.4
Si1—C3—H3B109.5C21—C26—H26A119.4
H3A—C3—H3B109.5Cr1—C26—H26A131.5
C3—Si1—C11—C1624.34 (19)C6—Si2—C21—C22149.92 (17)
C1—Si1—C11—C16146.18 (17)C4—Si2—C21—C2228.88 (19)
C2—Si1—C11—C1694.98 (18)C5—Si2—C21—C2290.09 (19)
C3—Si1—C11—C12158.18 (17)C6—Si2—C21—C2629.2 (2)
C1—Si1—C11—C1236.3 (2)C4—Si2—C21—C26150.20 (16)
C2—Si1—C11—C1282.50 (18)C5—Si2—C21—C2690.84 (19)
C3—Si1—C11—Cr166.60 (18)C6—Si2—C21—Cr160.39 (18)
C1—Si1—C11—Cr155.24 (19)C4—Si2—C21—Cr160.65 (17)
C2—Si1—C11—Cr1174.08 (15)C5—Si2—C21—Cr1179.61 (14)
C22—Cr1—C11—C16178.46 (14)C25—Cr1—C21—C22102.71 (14)
C25—Cr1—C11—C1677.72 (14)C26—Cr1—C21—C22131.01 (19)
C26—Cr1—C11—C1648.46 (18)C12—Cr1—C21—C2249.30 (18)
C12—Cr1—C11—C16131.27 (19)C23—Cr1—C21—C2228.46 (13)
C23—Cr1—C11—C16152.37 (13)C15—Cr1—C21—C22150.74 (13)
C15—Cr1—C11—C1628.43 (12)C16—Cr1—C21—C22178.50 (14)
C24—Cr1—C11—C16115.17 (13)C24—Cr1—C21—C2265.57 (13)
C13—Cr1—C11—C16102.81 (14)C13—Cr1—C21—C2276.77 (14)
C14—Cr1—C11—C1665.54 (13)C14—Cr1—C21—C22113.73 (14)
C22—Cr1—C11—C1247.18 (19)C22—Cr1—C21—C26131.01 (19)
C25—Cr1—C11—C12151.01 (13)C25—Cr1—C21—C2628.30 (13)
C26—Cr1—C11—C12179.73 (14)C12—Cr1—C21—C26179.70 (14)
C23—Cr1—C11—C1276.36 (15)C23—Cr1—C21—C26102.55 (14)
C15—Cr1—C11—C12102.84 (14)C15—Cr1—C21—C2678.25 (14)
C16—Cr1—C11—C12131.27 (19)C16—Cr1—C21—C2650.49 (18)
C24—Cr1—C11—C12113.56 (14)C24—Cr1—C21—C2665.44 (13)
C13—Cr1—C11—C1228.46 (13)C13—Cr1—C21—C26152.22 (13)
C14—Cr1—C11—C1265.73 (13)C14—Cr1—C21—C26115.26 (14)
C22—Cr1—C11—Si167.7 (2)C22—Cr1—C21—Si2114.5 (2)
C25—Cr1—C11—Si136.10 (18)C25—Cr1—C21—Si2142.78 (17)
C26—Cr1—C11—Si165.4 (2)C26—Cr1—C21—Si2114.5 (2)
C12—Cr1—C11—Si1114.9 (2)C12—Cr1—C21—Si265.2 (2)
C23—Cr1—C11—Si138.55 (19)C23—Cr1—C21—Si2142.97 (17)
C15—Cr1—C11—Si1142.26 (19)C15—Cr1—C21—Si236.23 (18)
C16—Cr1—C11—Si1113.8 (2)C16—Cr1—C21—Si264.0 (2)
C24—Cr1—C11—Si11.34 (18)C24—Cr1—C21—Si2179.93 (16)
C13—Cr1—C11—Si1143.37 (18)C13—Cr1—C21—Si237.74 (18)
C14—Cr1—C11—Si1179.36 (17)C14—Cr1—C21—Si20.78 (16)
C16—C11—C12—C130.8 (3)C26—C21—C22—C230.4 (3)
Si1—C11—C12—C13176.79 (15)Si2—C21—C22—C23178.70 (15)
Cr1—C11—C12—C1353.24 (18)Cr1—C21—C22—C2352.63 (18)
C16—C11—C12—Cr152.46 (17)C26—C21—C22—Cr153.04 (17)
Si1—C11—C12—Cr1129.97 (14)Si2—C21—C22—Cr1126.07 (15)
C22—Cr1—C12—C1374.90 (14)C25—Cr1—C22—C2366.15 (14)
C25—Cr1—C12—C13179.56 (15)C26—Cr1—C22—C23103.73 (15)
C23—Cr1—C12—C13112.62 (14)C12—Cr1—C22—C2376.12 (15)
C15—Cr1—C12—C1366.37 (14)C15—Cr1—C22—C23179.45 (15)
C16—Cr1—C12—C13103.94 (14)C24—Cr1—C22—C2328.85 (14)
C24—Cr1—C12—C13150.11 (13)C13—Cr1—C22—C23113.24 (14)
C14—Cr1—C12—C1329.10 (13)C14—Cr1—C22—C23150.74 (14)
C21—Cr1—C12—C1344.37 (19)C21—Cr1—C22—C23134.1 (2)
C11—Cr1—C12—C13133.87 (19)C11—Cr1—C22—C2346.9 (2)
C22—Cr1—C12—C11151.23 (12)C25—Cr1—C22—C2167.91 (13)
C25—Cr1—C12—C1146.56 (19)C26—Cr1—C22—C2130.33 (13)
C23—Cr1—C12—C11113.51 (13)C12—Cr1—C22—C21149.83 (12)
C15—Cr1—C12—C1167.50 (13)C23—Cr1—C22—C21134.1 (2)
C16—Cr1—C12—C1129.93 (12)C15—Cr1—C22—C2146.49 (19)
C24—Cr1—C12—C1176.01 (14)C24—Cr1—C22—C21105.21 (14)
C13—Cr1—C12—C11133.87 (19)C13—Cr1—C22—C21112.70 (13)
C14—Cr1—C12—C11104.77 (14)C14—Cr1—C22—C2175.20 (14)
C21—Cr1—C12—C11178.24 (13)C11—Cr1—C22—C21179.07 (13)
C11—C12—C13—C140.6 (3)C21—C22—C23—C240.1 (3)
Cr1—C12—C13—C1453.06 (18)Cr1—C22—C23—C2452.91 (17)
C11—C12—C13—Cr153.67 (18)C21—C22—C23—Cr152.85 (18)
C22—Cr1—C13—C12114.76 (13)C22—Cr1—C23—C24133.1 (2)
C26—Cr1—C13—C12179.10 (14)C25—Cr1—C23—C2428.89 (13)
C23—Cr1—C13—C1277.06 (14)C26—Cr1—C23—C2466.49 (13)
C15—Cr1—C13—C12103.82 (14)C12—Cr1—C23—C24113.02 (13)
C16—Cr1—C13—C1266.10 (13)C16—Cr1—C23—C2447.4 (2)
C24—Cr1—C13—C1248.08 (19)C13—Cr1—C23—C24150.62 (13)
C14—Cr1—C13—C12132.79 (19)C14—Cr1—C23—C24179.97 (14)
C21—Cr1—C13—C12152.60 (12)C21—Cr1—C23—C24104.59 (14)
C11—Cr1—C13—C1228.52 (13)C11—Cr1—C23—C2475.46 (15)
C22—Cr1—C13—C14112.45 (13)C25—Cr1—C23—C22104.20 (15)
C26—Cr1—C13—C1446.30 (19)C26—Cr1—C23—C2266.60 (14)
C12—Cr1—C13—C14132.79 (19)C12—Cr1—C23—C22113.89 (14)
C23—Cr1—C13—C14150.14 (12)C16—Cr1—C23—C22179.54 (15)
C15—Cr1—C13—C1428.97 (12)C24—Cr1—C23—C22133.1 (2)
C16—Cr1—C13—C1466.70 (13)C13—Cr1—C23—C2276.29 (15)
C24—Cr1—C13—C14179.12 (13)C14—Cr1—C23—C2246.94 (19)
C21—Cr1—C13—C1474.60 (14)C21—Cr1—C23—C2228.50 (13)
C11—Cr1—C13—C14104.27 (14)C11—Cr1—C23—C22151.45 (13)
C12—C13—C14—C150.0 (3)C22—C23—C24—C250.1 (3)
Cr1—C13—C14—C1552.86 (18)Cr1—C23—C24—C2552.54 (18)
C12—C13—C14—Cr152.91 (17)C22—C23—C24—Cr152.64 (17)
C22—Cr1—C14—C15150.30 (12)C22—Cr1—C24—C25104.05 (15)
C25—Cr1—C14—C1546.81 (18)C26—Cr1—C24—C2529.19 (13)
C26—Cr1—C14—C1575.57 (13)C12—Cr1—C24—C25150.14 (13)
C12—Cr1—C14—C15103.75 (13)C23—Cr1—C24—C25133.15 (19)
C23—Cr1—C14—C15179.28 (14)C15—Cr1—C24—C2546.1 (2)
C16—Cr1—C14—C1529.42 (12)C16—Cr1—C24—C2575.68 (14)
C13—Cr1—C14—C15132.85 (18)C13—Cr1—C24—C25179.65 (14)
C21—Cr1—C14—C15112.86 (13)C21—Cr1—C24—C2566.67 (14)
C11—Cr1—C14—C1566.49 (13)C11—Cr1—C24—C25112.69 (13)
C22—Cr1—C14—C1376.85 (14)C22—Cr1—C24—C2329.10 (12)
C25—Cr1—C14—C13179.66 (14)C25—Cr1—C24—C23133.15 (19)
C26—Cr1—C14—C13151.57 (12)C26—Cr1—C24—C23103.96 (14)
C12—Cr1—C14—C1329.10 (12)C12—Cr1—C24—C2376.72 (14)
C23—Cr1—C14—C1347.87 (18)C15—Cr1—C24—C23179.26 (14)
C15—Cr1—C14—C13132.85 (18)C16—Cr1—C24—C23151.18 (12)
C16—Cr1—C14—C13103.43 (14)C13—Cr1—C24—C2347.21 (18)
C21—Cr1—C14—C13114.28 (13)C21—Cr1—C24—C2366.47 (13)
C11—Cr1—C14—C1366.36 (13)C11—Cr1—C24—C23114.16 (13)
C13—C14—C15—C160.5 (3)C23—C24—C25—C260.5 (3)
Cr1—C14—C15—C1653.42 (17)Cr1—C24—C25—C2653.12 (18)
C13—C14—C15—Cr152.92 (18)C23—C24—C25—Cr152.61 (18)
C22—Cr1—C15—C1447.08 (19)C22—Cr1—C25—C2466.48 (14)
C25—Cr1—C15—C14151.39 (12)C26—Cr1—C25—C24132.9 (2)
C26—Cr1—C15—C14113.97 (13)C12—Cr1—C25—C2448.0 (2)
C12—Cr1—C15—C1466.53 (12)C23—Cr1—C25—C2428.88 (12)
C16—Cr1—C15—C14132.49 (18)C15—Cr1—C25—C24152.00 (13)
C24—Cr1—C15—C14179.99 (14)C16—Cr1—C25—C24114.37 (14)
C13—Cr1—C15—C1429.10 (12)C14—Cr1—C25—C24179.12 (14)
C21—Cr1—C15—C1475.74 (14)C21—Cr1—C25—C24104.42 (14)
C11—Cr1—C15—C14104.23 (13)C11—Cr1—C25—C2476.70 (14)
C22—Cr1—C15—C16179.56 (14)C22—Cr1—C25—C2666.40 (13)
C25—Cr1—C15—C1676.13 (14)C12—Cr1—C25—C26179.10 (14)
C26—Cr1—C15—C16113.55 (13)C23—Cr1—C25—C26104.00 (14)
C12—Cr1—C15—C1665.95 (13)C15—Cr1—C25—C2675.12 (14)
C24—Cr1—C15—C1647.50 (19)C16—Cr1—C25—C26112.75 (13)
C13—Cr1—C15—C16103.38 (14)C24—Cr1—C25—C26132.9 (2)
C14—Cr1—C15—C16132.49 (18)C14—Cr1—C25—C2646.24 (19)
C21—Cr1—C15—C16151.78 (13)C21—Cr1—C25—C2628.46 (13)
C11—Cr1—C15—C1628.26 (13)C11—Cr1—C25—C26150.42 (13)
C14—C15—C16—C110.3 (3)C24—C25—C26—C210.9 (3)
Cr1—C15—C16—C1153.31 (18)Cr1—C25—C26—C2152.45 (18)
C14—C15—C16—Cr153.63 (17)C24—C25—C26—Cr153.33 (18)
C12—C11—C16—C150.3 (3)C22—C21—C26—C250.8 (3)
Si1—C11—C16—C15177.29 (15)Si2—C21—C26—C25178.30 (15)
Cr1—C11—C16—C1552.70 (18)Cr1—C21—C26—C2552.21 (17)
C12—C11—C16—Cr152.39 (16)C22—C21—C26—Cr153.01 (17)
Si1—C11—C16—Cr1130.01 (14)Si2—C21—C26—Cr1126.09 (14)
C25—Cr1—C16—C15113.94 (13)C22—Cr1—C26—C25104.02 (14)
C26—Cr1—C16—C1576.07 (14)C23—Cr1—C26—C2566.31 (14)
C12—Cr1—C16—C15104.10 (14)C15—Cr1—C26—C25114.70 (14)
C23—Cr1—C16—C15179.43 (16)C16—Cr1—C26—C2577.14 (14)
C24—Cr1—C16—C15151.26 (13)C24—Cr1—C26—C2528.99 (13)
C13—Cr1—C16—C1566.67 (14)C13—Cr1—C26—C25179.58 (15)
C14—Cr1—C16—C1529.15 (13)C14—Cr1—C26—C25151.79 (13)
C21—Cr1—C16—C1544.98 (19)C21—Cr1—C26—C25134.25 (19)
C11—Cr1—C16—C15134.14 (19)C11—Cr1—C26—C2547.48 (19)
C25—Cr1—C16—C11111.92 (13)C22—Cr1—C26—C2130.24 (12)
C26—Cr1—C16—C11149.79 (12)C25—Cr1—C26—C21134.25 (19)
C12—Cr1—C16—C1130.04 (13)C23—Cr1—C26—C2167.94 (13)
C23—Cr1—C16—C1145.3 (2)C15—Cr1—C26—C21111.05 (13)
C15—Cr1—C16—C11134.14 (19)C16—Cr1—C26—C21148.61 (12)
C24—Cr1—C16—C1174.60 (14)C24—Cr1—C26—C21105.27 (14)
C13—Cr1—C16—C1167.47 (13)C13—Cr1—C26—C2145.32 (19)
C14—Cr1—C16—C11104.99 (14)C14—Cr1—C26—C2173.95 (14)
C21—Cr1—C16—C11179.12 (13)C11—Cr1—C26—C21178.27 (13)
Selected bond lengths (Å) top
Cr1—C112.1766 (19)Cr1—C232.1441 (20)
Cr1—C122.1432 (20)Cr1—C242.1484 (21)
Cr1—C132.1500 (22)Cr1—C252.1400 (22)
Cr1—C142.1517 (21)Cr1—C262.1405 (21)
Cr1—C152.1442 (22)Cr1—X11.673
Cr1—C162.1449 (21)Cr1—X21.664
Cr1—C212.1578 (19)C11—Si11.8743 (20)
Cr1—C222.1378 (21)C21—Si21.8728 (21)
Notes: (a) X1 = centroid of the six-membered ring C11–C16; (b) X2 = centroid of the six-membered ring C21–C26.
 

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