metal-organic compounds
The galla[1]ferrocenophane {[dimethyl(2-pyridyl)silyl]bis(trimethylsilyl)methyl-κ2C,N}(ferrocene-1,1′-diyl)gallium(III)
aDepartment of Chemistry, University of Saskatchewan, 110 Science Place, Saskatoon, Saskatchewan, Canada S7N 5C9, and bSaskatchewan Structural Sciences Centre, University of Saskatchewan, 110 Science Place, Saskatoon, Saskatchewan, Canada S7N 5C9
*Correspondence e-mail: jens.mueller@usask.ca
The title compound, [GaFe(C5H4)2(C14H28NSi3)] or [{(2-H4C5N)Me2Si}(Me3Si)2C]Ga(C5H4)2Fe, a galla[1]ferrocenophane, crystallizes with two independent molecules in the In these strained the angles between the planes of the two π-ligands are 15.4 (2) and 16.4 (2)°, with gallium in a distorted tetrahedral coordination environment.
Related literature
The synthesis of the title compound was described by Schachner et al. (2005b). A related galla[1]ferrocenophane was published by Lund et al. (2006). For related literature, see: Bellas & Rehahn (2007); Foucher et al. (1992); Herbert et al. (2007); Lund et al. (2007); Osborne & Whiteley (1975); Schachner et al. (2005a, 2007).
Experimental
Crystal data
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Data collection: COLLECT (Nonius, 1998); cell SCALEPACK (Otwinowski & Minor, 1997); data reduction: SCALEPACK and DENZO (Otwinowski & Minor, 1997); program(s) used to solve structure: SIR97 (Altomare et al., 1999); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008); molecular graphics: ORTEP-3 for Windows (Farrugia, 1997); software used to prepare material for publication: SHELXL97 and PLATON (Spek, 2003).
Supporting information
10.1107/S1600536808005503/om2215sup1.cif
contains datablocks I, global. DOI:Structure factors: contains datablock I. DOI: 10.1107/S1600536808005503/om2215Isup2.hkl
The title compound was synthesized as described in the literature (Schachner et al. 2005b). Single crystals were obtained by crystallization from a hexane solution at ca -25°C.
H atoms were placed in calculated positions with C—H = 0.95Å and Uiso constrained to be 1.2 times Ueq of the
for aromatic protons and C—H = 0.98Å with Uiso constrained to 1.5 times Ueq of the for methyl hydrogen atoms.Data collection: COLLECT (Nonius, 1998); cell
SCALEPACK (Otwinowski & Minor, 1997); data reduction: SCALEPACK and DENZO (Otwinowski & Minor, 1997); program(s) used to solve structure: SIR97 (Altomare et al., 1999); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008); molecular graphics: ORTEP-3 for Windows (Farrugia, 1997); software used to prepare material for publication: SHELXL97 (Sheldrick, 2008) and PLATON (Spek, 2003).Fig. 1. Plot of the two independent molecules of with thermal ellipsoids at the 50% probability level. H atoms are omitted for claritity. | |
Fig. 2. The formation of the title compound. |
[GaFe(C5H4)2(C14H28NSi3)] | F(000) = 2288 |
Mr = 548.38 | Dx = 1.386 Mg m−3 |
Monoclinic, P21/c | Mo Kα radiation, λ = 0.71073 Å |
Hall symbol: -P 2ybc | Cell parameters from 91449 reflections |
a = 9.6463 (1) Å | θ = 1.0–26.0° |
b = 35.2258 (4) Å | µ = 1.73 mm−1 |
c = 15.4862 (2) Å | T = 173 K |
β = 92.5212 (7)° | Chip, orange |
V = 5257.10 (11) Å3 | 0.20 × 0.12 × 0.12 mm |
Z = 8 |
Nonius KappaCCD diffractometer | 10370 independent reflections |
Radiation source: fine-focus sealed tube | 7767 reflections with I > 2σ(I) |
Horizonally mounted graphite crystal monochromator | Rint = 0.079 |
Detector resolution: 9 pixels mm-1 | θmax = 26.1°, θmin = 1.4° |
ϕ scans, and ω scans with κ offsets | h = −11→11 |
Absorption correction: ψ scan (SHELXTL; Sheldrick, 2008) | k = −43→43 |
Tmin = 0.692, Tmax = 0.811 | l = −19→19 |
58270 measured reflections |
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)] = 0.043 | Hydrogen site location: inferred from neighbouring sites |
wR(F2) = 0.088 | H-atom parameters constrained |
S = 1.04 | w = 1/[σ2(Fo2) + (0.0238P)2 + 7.0617P] where P = (Fo2 + 2Fc2)/3 |
10370 reflections | (Δ/σ)max = 0.001 |
557 parameters | Δρmax = 0.36 e Å−3 |
0 restraints | Δρmin = −0.46 e Å−3 |
[GaFe(C5H4)2(C14H28NSi3)] | V = 5257.10 (11) Å3 |
Mr = 548.38 | Z = 8 |
Monoclinic, P21/c | Mo Kα radiation |
a = 9.6463 (1) Å | µ = 1.73 mm−1 |
b = 35.2258 (4) Å | T = 173 K |
c = 15.4862 (2) Å | 0.20 × 0.12 × 0.12 mm |
β = 92.5212 (7)° |
Nonius KappaCCD diffractometer | 10370 independent reflections |
Absorption correction: ψ scan (SHELXTL; Sheldrick, 2008) | 7767 reflections with I > 2σ(I) |
Tmin = 0.692, Tmax = 0.811 | Rint = 0.079 |
58270 measured reflections |
R[F2 > 2σ(F2)] = 0.043 | 0 restraints |
wR(F2) = 0.088 | H-atom parameters constrained |
S = 1.04 | Δρmax = 0.36 e Å−3 |
10370 reflections | Δρmin = −0.46 e Å−3 |
557 parameters |
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 | ||
Fe1A | 0.30497 (5) | 0.055334 (13) | 1.00300 (3) | 0.02692 (12) | |
Ga1A | 0.14191 (4) | 0.116989 (10) | 0.94201 (2) | 0.02454 (10) | |
N1A | 0.0812 (3) | 0.11264 (7) | 0.81155 (17) | 0.0257 (6) | |
Si1A | 0.05479 (11) | 0.18896 (3) | 0.85081 (6) | 0.0299 (2) | |
Si2A | −0.13709 (10) | 0.15670 (3) | 0.98932 (7) | 0.0317 (2) | |
Si3A | 0.14012 (11) | 0.19919 (3) | 1.04473 (7) | 0.0317 (2) | |
C2A | 0.0799 (4) | 0.08122 (10) | 0.7626 (2) | 0.0334 (9) | |
H2A | 0.1057 | 0.0578 | 0.7889 | 0.040* | |
C3A | 0.0429 (4) | 0.08158 (11) | 0.6762 (2) | 0.0379 (9) | |
H3A | 0.0420 | 0.0587 | 0.6437 | 0.045* | |
C4A | 0.0070 (4) | 0.11542 (11) | 0.6368 (2) | 0.0374 (9) | |
H4A | −0.0184 | 0.1164 | 0.5769 | 0.045* | |
C5A | 0.0090 (4) | 0.14802 (10) | 0.6872 (2) | 0.0343 (9) | |
H5A | −0.0148 | 0.1717 | 0.6613 | 0.041* | |
C6A | 0.0454 (3) | 0.14648 (9) | 0.7748 (2) | 0.0275 (8) | |
C7A | 0.0484 (3) | 0.16817 (9) | 0.9611 (2) | 0.0255 (8) | |
C8A | −0.0866 (5) | 0.22219 (11) | 0.8131 (3) | 0.0520 (12) | |
H8A | −0.1767 | 0.2096 | 0.8171 | 0.078* | |
H8B | −0.0730 | 0.2294 | 0.7530 | 0.078* | |
H8C | −0.0842 | 0.2449 | 0.8496 | 0.078* | |
C9A | 0.2214 (5) | 0.21208 (12) | 0.8242 (3) | 0.0541 (12) | |
H9A | 0.2313 | 0.2361 | 0.8558 | 0.081* | |
H9B | 0.2215 | 0.2170 | 0.7619 | 0.081* | |
H9C | 0.2990 | 0.1953 | 0.8410 | 0.081* | |
C10A | −0.2308 (4) | 0.13154 (13) | 0.8976 (3) | 0.0521 (12) | |
H10A | −0.3264 | 0.1263 | 0.9130 | 0.078* | |
H10B | −0.1835 | 0.1076 | 0.8861 | 0.078* | |
H10C | −0.2315 | 0.1476 | 0.8459 | 0.078* | |
C11A | −0.2409 (4) | 0.19977 (11) | 1.0156 (3) | 0.0498 (11) | |
H11A | −0.3387 | 0.1927 | 1.0191 | 0.075* | |
H11B | −0.2314 | 0.2189 | 0.9703 | 0.075* | |
H11C | −0.2067 | 0.2102 | 1.0712 | 0.075* | |
C12A | −0.1518 (4) | 0.12448 (11) | 1.0844 (3) | 0.0467 (11) | |
H12A | −0.1044 | 0.1360 | 1.1352 | 0.070* | |
H12B | −0.1088 | 0.1000 | 1.0720 | 0.070* | |
H12C | −0.2499 | 0.1206 | 1.0957 | 0.070* | |
C13A | 0.1152 (5) | 0.18302 (12) | 1.1584 (2) | 0.0528 (12) | |
H13A | 0.1377 | 0.1560 | 1.1634 | 0.079* | |
H13B | 0.0184 | 0.1871 | 1.1728 | 0.079* | |
H13C | 0.1764 | 0.1976 | 1.1982 | 0.079* | |
C14A | 0.0752 (4) | 0.24962 (10) | 1.0403 (3) | 0.0466 (11) | |
H14A | 0.1308 | 0.2652 | 1.0812 | 0.070* | |
H14B | −0.0222 | 0.2503 | 1.0556 | 0.070* | |
H14C | 0.0835 | 0.2596 | 0.9817 | 0.070* | |
C15A | 0.3327 (4) | 0.20227 (11) | 1.0337 (3) | 0.0474 (11) | |
H15A | 0.3765 | 0.2120 | 1.0875 | 0.071* | |
H15B | 0.3528 | 0.2194 | 0.9860 | 0.071* | |
H15C | 0.3696 | 0.1770 | 1.0217 | 0.071* | |
C16A | 0.0984 (3) | 0.06751 (9) | 1.0006 (2) | 0.0298 (8) | |
C17A | 0.1548 (4) | 0.06341 (11) | 1.0879 (2) | 0.0368 (9) | |
H17A | 0.1535 | 0.0826 | 1.1311 | 0.044* | |
C18A | 0.2125 (4) | 0.02665 (11) | 1.1002 (3) | 0.0431 (10) | |
H18A | 0.2573 | 0.0173 | 1.1518 | 0.052* | |
C19A | 0.1917 (4) | 0.00647 (11) | 1.0221 (3) | 0.0418 (10) | |
H19A | 0.2191 | −0.0190 | 1.0117 | 0.050* | |
C20A | 0.1222 (4) | 0.03111 (10) | 0.9615 (3) | 0.0344 (9) | |
H20A | 0.0953 | 0.0245 | 0.9037 | 0.041* | |
C21A | 0.3479 (3) | 0.10609 (9) | 0.9457 (2) | 0.0273 (8) | |
C22A | 0.4259 (4) | 0.10155 (10) | 1.0276 (2) | 0.0317 (8) | |
H22A | 0.4206 | 0.1182 | 1.0756 | 0.038* | |
C23A | 0.5110 (4) | 0.06870 (10) | 1.0254 (2) | 0.0341 (9) | |
H23A | 0.5710 | 0.0597 | 1.0712 | 0.041* | |
C24A | 0.4909 (4) | 0.05174 (10) | 0.9432 (2) | 0.0323 (8) | |
H24A | 0.5345 | 0.0293 | 0.9237 | 0.039* | |
C25A | 0.3930 (4) | 0.07447 (9) | 0.8946 (2) | 0.0280 (8) | |
H25A | 0.3617 | 0.0695 | 0.8367 | 0.034* | |
Fe1B | 0.77578 (5) | 0.031639 (13) | 0.33294 (3) | 0.02690 (12) | |
Ga1B | 0.63939 (4) | 0.087176 (10) | 0.43069 (2) | 0.02319 (9) | |
N1b | 0.6415 (3) | 0.07546 (8) | 0.56039 (18) | 0.0275 (7) | |
Si1B | 0.55460 (11) | 0.15070 (3) | 0.55006 (7) | 0.0372 (3) | |
Si2B | 0.59969 (11) | 0.17257 (3) | 0.35803 (7) | 0.0360 (3) | |
Si3B | 0.34124 (10) | 0.12263 (3) | 0.41012 (7) | 0.0292 (2) | |
C2B | 0.6827 (4) | 0.04260 (10) | 0.5972 (2) | 0.0333 (9) | |
H2B | 0.7100 | 0.0224 | 0.5610 | 0.040* | |
C3B | 0.6869 (4) | 0.03707 (11) | 0.6852 (2) | 0.0401 (10) | |
H3B | 0.7174 | 0.0136 | 0.7094 | 0.048* | |
C4B | 0.6463 (4) | 0.06618 (13) | 0.7373 (3) | 0.0443 (10) | |
H4B | 0.6487 | 0.0631 | 0.7983 | 0.053* | |
C5B | 0.6016 (4) | 0.10014 (12) | 0.6998 (2) | 0.0423 (10) | |
H5B | 0.5722 | 0.1204 | 0.7353 | 0.051* | |
C6B | 0.5999 (4) | 0.10457 (10) | 0.6105 (2) | 0.0325 (8) | |
C7B | 0.5295 (4) | 0.13650 (9) | 0.4346 (2) | 0.0281 (8) | |
C8B | 0.7064 (5) | 0.18256 (12) | 0.5764 (3) | 0.0607 (13) | |
H8D | 0.7896 | 0.1721 | 0.5514 | 0.091* | |
H8E | 0.7211 | 0.1844 | 0.6393 | 0.091* | |
H8F | 0.6877 | 0.2079 | 0.5524 | 0.091* | |
C9B | 0.4067 (5) | 0.17341 (14) | 0.6057 (3) | 0.0661 (15) | |
H9D | 0.3848 | 0.1979 | 0.5786 | 0.099* | |
H9E | 0.4330 | 0.1773 | 0.6669 | 0.099* | |
H9F | 0.3251 | 0.1568 | 0.6006 | 0.099* | |
C10B | 0.7926 (4) | 0.17796 (11) | 0.3689 (3) | 0.0554 (13) | |
H10D | 0.8165 | 0.1963 | 0.4147 | 0.083* | |
H10E | 0.8275 | 0.1871 | 0.3141 | 0.083* | |
H10F | 0.8349 | 0.1534 | 0.3834 | 0.083* | |
C11B | 0.5249 (5) | 0.22135 (10) | 0.3737 (3) | 0.0552 (12) | |
H11D | 0.5395 | 0.2290 | 0.4343 | 0.083* | |
H11E | 0.4253 | 0.2210 | 0.3584 | 0.083* | |
H11F | 0.5711 | 0.2395 | 0.3365 | 0.083* | |
C12B | 0.5588 (5) | 0.16013 (12) | 0.2420 (3) | 0.0544 (12) | |
H12D | 0.6085 | 0.1774 | 0.2046 | 0.082* | |
H12E | 0.4587 | 0.1625 | 0.2295 | 0.082* | |
H12F | 0.5879 | 0.1340 | 0.2312 | 0.082* | |
C13B | 0.3019 (4) | 0.09920 (11) | 0.3038 (2) | 0.0414 (10) | |
H13D | 0.3488 | 0.0745 | 0.3026 | 0.062* | |
H13E | 0.3348 | 0.1153 | 0.2573 | 0.062* | |
H13F | 0.2015 | 0.0955 | 0.2958 | 0.062* | |
C14B | 0.2193 (4) | 0.16437 (12) | 0.4105 (3) | 0.0508 (11) | |
H14D | 0.1234 | 0.1552 | 0.4104 | 0.076* | |
H14E | 0.2319 | 0.1799 | 0.3588 | 0.076* | |
H14F | 0.2393 | 0.1797 | 0.4623 | 0.076* | |
C15B | 0.2855 (4) | 0.08709 (12) | 0.4914 (3) | 0.0465 (10) | |
H15D | 0.1868 | 0.0813 | 0.4809 | 0.070* | |
H15E | 0.3005 | 0.0975 | 0.5497 | 0.070* | |
H15F | 0.3401 | 0.0638 | 0.4861 | 0.070* | |
C16B | 0.8391 (3) | 0.07929 (9) | 0.3993 (2) | 0.0290 (8) | |
C17B | 0.8717 (4) | 0.08150 (10) | 0.3093 (2) | 0.0364 (9) | |
H17B | 0.8392 | 0.1007 | 0.2702 | 0.044* | |
C18B | 0.9598 (4) | 0.05080 (11) | 0.2876 (3) | 0.0432 (10) | |
H18B | 0.9946 | 0.0459 | 0.2323 | 0.052* | |
C19B | 0.9862 (4) | 0.02905 (10) | 0.3628 (3) | 0.0375 (9) | |
H19B | 1.0426 | 0.0070 | 0.3673 | 0.045* | |
C20B | 0.9137 (3) | 0.04586 (10) | 0.4309 (2) | 0.0311 (8) | |
H20B | 0.9140 | 0.0366 | 0.4886 | 0.037* | |
C21B | 0.5751 (3) | 0.04071 (9) | 0.3634 (2) | 0.0278 (8) | |
C22B | 0.5895 (4) | 0.04133 (10) | 0.2716 (2) | 0.0325 (8) | |
H22B | 0.5675 | 0.0624 | 0.2353 | 0.039* | |
C23B | 0.6413 (4) | 0.00605 (10) | 0.2423 (2) | 0.0367 (9) | |
H23B | 0.6596 | −0.0005 | 0.1844 | 0.044* | |
C24B | 0.6603 (4) | −0.01748 (10) | 0.3161 (2) | 0.0332 (9) | |
H24B | 0.6943 | −0.0428 | 0.3165 | 0.040* | |
C25B | 0.6200 (3) | 0.00323 (9) | 0.3893 (2) | 0.0277 (8) | |
H25B | 0.6222 | −0.0062 | 0.4468 | 0.033* |
U11 | U22 | U33 | U12 | U13 | U23 | |
Fe1A | 0.0237 (3) | 0.0279 (3) | 0.0293 (3) | 0.0008 (2) | 0.0036 (2) | 0.0040 (2) |
Ga1A | 0.0245 (2) | 0.02234 (19) | 0.0269 (2) | 0.00140 (16) | 0.00234 (16) | 0.00005 (16) |
N1A | 0.0240 (16) | 0.0248 (15) | 0.0285 (16) | 0.0033 (12) | 0.0020 (13) | −0.0026 (12) |
Si1A | 0.0384 (6) | 0.0232 (5) | 0.0281 (6) | 0.0002 (4) | 0.0015 (5) | 0.0006 (4) |
Si2A | 0.0253 (6) | 0.0349 (6) | 0.0352 (6) | 0.0012 (4) | 0.0047 (4) | −0.0018 (5) |
Si3A | 0.0360 (6) | 0.0266 (5) | 0.0321 (6) | 0.0001 (4) | −0.0032 (5) | −0.0039 (4) |
C2A | 0.038 (2) | 0.0275 (19) | 0.035 (2) | 0.0055 (16) | −0.0009 (17) | −0.0054 (16) |
C3A | 0.040 (2) | 0.037 (2) | 0.037 (2) | 0.0049 (18) | −0.0002 (18) | −0.0118 (18) |
C4A | 0.035 (2) | 0.051 (2) | 0.026 (2) | 0.0050 (18) | −0.0028 (17) | −0.0065 (18) |
C5A | 0.034 (2) | 0.036 (2) | 0.033 (2) | 0.0057 (17) | 0.0007 (17) | 0.0033 (17) |
C6A | 0.0212 (18) | 0.0318 (19) | 0.030 (2) | 0.0002 (15) | 0.0021 (15) | 0.0006 (15) |
C7A | 0.0252 (19) | 0.0224 (17) | 0.0289 (19) | −0.0001 (14) | 0.0019 (15) | −0.0025 (14) |
C8A | 0.079 (3) | 0.037 (2) | 0.040 (3) | 0.020 (2) | −0.005 (2) | 0.0018 (19) |
C9A | 0.071 (3) | 0.053 (3) | 0.039 (3) | −0.027 (2) | 0.012 (2) | −0.002 (2) |
C10A | 0.032 (2) | 0.067 (3) | 0.058 (3) | −0.011 (2) | 0.003 (2) | −0.013 (2) |
C11A | 0.035 (2) | 0.054 (3) | 0.061 (3) | 0.012 (2) | 0.009 (2) | −0.002 (2) |
C12A | 0.040 (2) | 0.050 (3) | 0.051 (3) | 0.000 (2) | 0.014 (2) | 0.005 (2) |
C13A | 0.074 (3) | 0.053 (3) | 0.031 (2) | −0.007 (2) | −0.011 (2) | −0.004 (2) |
C14A | 0.054 (3) | 0.028 (2) | 0.057 (3) | −0.0011 (19) | 0.000 (2) | −0.0091 (19) |
C15A | 0.039 (2) | 0.042 (2) | 0.060 (3) | −0.0063 (19) | −0.006 (2) | −0.013 (2) |
C16A | 0.0224 (19) | 0.0279 (19) | 0.040 (2) | 0.0024 (15) | 0.0076 (16) | 0.0037 (16) |
C17A | 0.037 (2) | 0.041 (2) | 0.034 (2) | 0.0036 (18) | 0.0145 (18) | 0.0059 (17) |
C18A | 0.040 (2) | 0.048 (2) | 0.043 (3) | 0.0067 (19) | 0.0114 (19) | 0.020 (2) |
C19A | 0.030 (2) | 0.028 (2) | 0.068 (3) | −0.0009 (16) | 0.012 (2) | 0.013 (2) |
C20A | 0.027 (2) | 0.0286 (19) | 0.048 (2) | −0.0048 (16) | 0.0033 (17) | 0.0056 (17) |
C21A | 0.0251 (19) | 0.0252 (18) | 0.032 (2) | −0.0035 (15) | 0.0026 (16) | 0.0008 (15) |
C22A | 0.031 (2) | 0.033 (2) | 0.030 (2) | −0.0040 (16) | −0.0020 (17) | −0.0031 (16) |
C23A | 0.024 (2) | 0.042 (2) | 0.035 (2) | −0.0011 (16) | −0.0045 (17) | 0.0058 (18) |
C24A | 0.0225 (19) | 0.033 (2) | 0.042 (2) | 0.0056 (16) | 0.0070 (17) | 0.0025 (17) |
C25A | 0.028 (2) | 0.0301 (19) | 0.0258 (19) | −0.0025 (15) | 0.0031 (15) | 0.0013 (15) |
Fe1B | 0.0265 (3) | 0.0251 (3) | 0.0295 (3) | −0.0001 (2) | 0.0060 (2) | −0.0015 (2) |
Ga1B | 0.0232 (2) | 0.02223 (19) | 0.0241 (2) | 0.00140 (15) | 0.00027 (16) | −0.00166 (15) |
N1b | 0.0228 (16) | 0.0332 (16) | 0.0263 (16) | 0.0022 (13) | 0.0009 (13) | −0.0032 (13) |
Si1B | 0.0365 (6) | 0.0375 (6) | 0.0365 (6) | 0.0108 (5) | −0.0092 (5) | −0.0141 (5) |
Si2B | 0.0334 (6) | 0.0233 (5) | 0.0514 (7) | 0.0015 (4) | 0.0032 (5) | 0.0030 (5) |
Si3B | 0.0233 (5) | 0.0331 (5) | 0.0311 (6) | 0.0032 (4) | −0.0014 (4) | −0.0023 (4) |
C2B | 0.032 (2) | 0.038 (2) | 0.030 (2) | −0.0004 (17) | 0.0007 (17) | 0.0031 (17) |
C3B | 0.037 (2) | 0.048 (2) | 0.035 (2) | −0.0068 (19) | −0.0025 (18) | 0.0110 (19) |
C4B | 0.039 (2) | 0.068 (3) | 0.026 (2) | −0.008 (2) | 0.0026 (18) | 0.002 (2) |
C5B | 0.032 (2) | 0.064 (3) | 0.031 (2) | −0.001 (2) | 0.0026 (18) | −0.014 (2) |
C6B | 0.026 (2) | 0.043 (2) | 0.028 (2) | 0.0008 (16) | 0.0014 (16) | −0.0089 (17) |
C7B | 0.028 (2) | 0.0235 (18) | 0.033 (2) | 0.0039 (14) | −0.0009 (16) | −0.0018 (15) |
C8B | 0.069 (3) | 0.039 (2) | 0.071 (3) | −0.002 (2) | −0.032 (3) | −0.013 (2) |
C9B | 0.066 (3) | 0.088 (4) | 0.043 (3) | 0.035 (3) | −0.007 (2) | −0.033 (3) |
C10B | 0.037 (2) | 0.026 (2) | 0.104 (4) | −0.0068 (18) | 0.008 (2) | 0.009 (2) |
C11B | 0.053 (3) | 0.026 (2) | 0.086 (4) | 0.0087 (19) | 0.002 (3) | 0.002 (2) |
C12B | 0.064 (3) | 0.055 (3) | 0.045 (3) | −0.008 (2) | 0.013 (2) | 0.015 (2) |
C13B | 0.029 (2) | 0.051 (2) | 0.044 (2) | −0.0010 (18) | −0.0049 (18) | −0.0041 (19) |
C14B | 0.039 (3) | 0.060 (3) | 0.053 (3) | 0.016 (2) | −0.009 (2) | −0.007 (2) |
C15B | 0.031 (2) | 0.061 (3) | 0.048 (3) | −0.006 (2) | 0.0045 (19) | 0.007 (2) |
C16B | 0.0242 (19) | 0.0241 (18) | 0.039 (2) | −0.0042 (14) | 0.0029 (16) | −0.0010 (15) |
C17B | 0.037 (2) | 0.031 (2) | 0.042 (2) | −0.0061 (17) | 0.0096 (18) | 0.0056 (17) |
C18B | 0.038 (2) | 0.042 (2) | 0.051 (3) | −0.0070 (18) | 0.023 (2) | −0.004 (2) |
C19B | 0.024 (2) | 0.033 (2) | 0.057 (3) | 0.0022 (16) | 0.0098 (18) | −0.0003 (19) |
C20B | 0.0223 (19) | 0.034 (2) | 0.037 (2) | −0.0020 (15) | −0.0026 (16) | 0.0001 (16) |
C21B | 0.0238 (19) | 0.0278 (18) | 0.032 (2) | −0.0029 (14) | 0.0023 (16) | −0.0037 (15) |
C22B | 0.036 (2) | 0.0289 (19) | 0.032 (2) | 0.0010 (16) | −0.0068 (17) | −0.0033 (16) |
C23B | 0.045 (2) | 0.036 (2) | 0.029 (2) | 0.0000 (18) | 0.0047 (18) | −0.0105 (17) |
C24B | 0.033 (2) | 0.0245 (18) | 0.042 (2) | −0.0017 (15) | 0.0032 (18) | −0.0077 (16) |
C25B | 0.0266 (19) | 0.0262 (18) | 0.030 (2) | −0.0051 (15) | 0.0012 (16) | −0.0036 (15) |
Fe1A—C17A | 2.019 (3) | Fe1B—C22B | 2.024 (4) |
Fe1A—C22A | 2.029 (3) | Fe1B—C17B | 2.026 (3) |
Fe1A—C25A | 2.029 (3) | Fe1B—C25B | 2.034 (3) |
Fe1A—C16A | 2.037 (3) | Fe1B—C20B | 2.036 (4) |
Fe1A—C20A | 2.037 (4) | Fe1B—C21B | 2.038 (3) |
Fe1A—C21A | 2.047 (3) | Fe1B—C16B | 2.047 (3) |
Fe1A—C18A | 2.049 (4) | Fe1B—C18B | 2.051 (4) |
Fe1A—C23A | 2.057 (4) | Fe1B—C19B | 2.064 (4) |
Fe1A—C24A | 2.058 (3) | Fe1B—C24B | 2.068 (3) |
Fe1A—C19A | 2.067 (4) | Fe1B—C23B | 2.075 (4) |
Fe1A—Ga1A | 2.8200 (6) | Fe1B—Ga1B | 2.8328 (6) |
Ga1A—C16A | 2.018 (3) | Ga1B—C21B | 2.023 (3) |
Ga1A—C21A | 2.023 (3) | Ga1B—C16B | 2.026 (3) |
Ga1A—C7A | 2.043 (3) | Ga1B—C7B | 2.038 (3) |
Ga1A—N1A | 2.084 (3) | Ga1B—N1b | 2.050 (3) |
N1A—C2A | 1.342 (4) | N1b—C2B | 1.342 (4) |
N1A—C6A | 1.359 (4) | N1b—C6B | 1.358 (4) |
Si1A—C7A | 1.862 (3) | Si1B—C7B | 1.863 (4) |
Si1A—C9A | 1.864 (4) | Si1B—C8B | 1.875 (4) |
Si1A—C8A | 1.871 (4) | Si1B—C9B | 1.877 (4) |
Si1A—C6A | 1.904 (3) | Si1B—C6B | 1.916 (4) |
Si2A—C12A | 1.869 (4) | Si2B—C10B | 1.871 (4) |
Si2A—C11A | 1.872 (4) | Si2B—C12B | 1.875 (4) |
Si2A—C10A | 1.873 (4) | Si2B—C11B | 1.883 (4) |
Si2A—C7A | 1.904 (3) | Si2B—C7B | 1.884 (4) |
Si3A—C13A | 1.875 (4) | Si3B—C13B | 1.865 (4) |
Si3A—C15A | 1.877 (4) | Si3B—C15B | 1.871 (4) |
Si3A—C14A | 1.884 (4) | Si3B—C14B | 1.883 (4) |
Si3A—C7A | 1.885 (3) | Si3B—C7B | 1.903 (4) |
C2A—C3A | 1.369 (5) | C2B—C3B | 1.375 (5) |
C2A—H2A | 0.9500 | C2B—H2B | 0.9500 |
C3A—C4A | 1.376 (5) | C3B—C4B | 1.373 (5) |
C3A—H3A | 0.9500 | C3B—H3B | 0.9500 |
C4A—C5A | 1.388 (5) | C4B—C5B | 1.390 (6) |
C4A—H4A | 0.9500 | C4B—H4B | 0.9500 |
C5A—C6A | 1.387 (5) | C5B—C6B | 1.391 (5) |
C5A—H5A | 0.9500 | C5B—H5B | 0.9500 |
C8A—H8A | 0.9800 | C8B—H8D | 0.9800 |
C8A—H8B | 0.9800 | C8B—H8E | 0.9800 |
C8A—H8C | 0.9800 | C8B—H8F | 0.9800 |
C9A—H9A | 0.9800 | C9B—H9D | 0.9800 |
C9A—H9B | 0.9800 | C9B—H9E | 0.9800 |
C9A—H9C | 0.9800 | C9B—H9F | 0.9800 |
C10A—H10A | 0.9800 | C10B—H10D | 0.9800 |
C10A—H10B | 0.9800 | C10B—H10E | 0.9800 |
C10A—H10C | 0.9800 | C10B—H10F | 0.9800 |
C11A—H11A | 0.9800 | C11B—H11D | 0.9800 |
C11A—H11B | 0.9800 | C11B—H11E | 0.9800 |
C11A—H11C | 0.9800 | C11B—H11F | 0.9800 |
C12A—H12A | 0.9800 | C12B—H12D | 0.9800 |
C12A—H12B | 0.9800 | C12B—H12E | 0.9800 |
C12A—H12C | 0.9800 | C12B—H12F | 0.9800 |
C13A—H13A | 0.9800 | C13B—H13D | 0.9800 |
C13A—H13B | 0.9800 | C13B—H13E | 0.9800 |
C13A—H13C | 0.9800 | C13B—H13F | 0.9800 |
C14A—H14A | 0.9800 | C14B—H14D | 0.9800 |
C14A—H14B | 0.9800 | C14B—H14E | 0.9800 |
C14A—H14C | 0.9800 | C14B—H14F | 0.9800 |
C15A—H15A | 0.9800 | C15B—H15D | 0.9800 |
C15A—H15B | 0.9800 | C15B—H15E | 0.9800 |
C15A—H15C | 0.9800 | C15B—H15F | 0.9800 |
C16A—C20A | 1.441 (5) | C16B—C17B | 1.444 (5) |
C16A—C17A | 1.442 (5) | C16B—C20B | 1.454 (5) |
C17A—C18A | 1.419 (5) | C17B—C18B | 1.425 (5) |
C17A—H17A | 0.9500 | C17B—H17B | 0.9500 |
C18A—C19A | 1.410 (6) | C18B—C19B | 1.408 (5) |
C18A—H18A | 0.9500 | C18B—H18B | 0.9500 |
C19A—C20A | 1.423 (5) | C19B—C20B | 1.420 (5) |
C19A—H19A | 0.9500 | C19B—H19B | 0.9500 |
C20A—H20A | 0.9500 | C20B—H20B | 0.9500 |
C21A—C25A | 1.444 (5) | C21B—C22B | 1.436 (5) |
C21A—C22A | 1.454 (5) | C21B—C25B | 1.441 (5) |
C22A—C23A | 1.420 (5) | C22B—C23B | 1.421 (5) |
C22A—H22A | 0.9500 | C22B—H22B | 0.9500 |
C23A—C24A | 1.412 (5) | C23B—C24B | 1.418 (5) |
C23A—H23A | 0.9500 | C23B—H23B | 0.9500 |
C24A—C25A | 1.427 (5) | C24B—C25B | 1.416 (5) |
C24A—H24A | 0.9500 | C24B—H24B | 0.9500 |
C25A—H25A | 0.9500 | C25B—H25B | 0.9500 |
C17A—Fe1A—C22A | 100.82 (15) | C22B—Fe1B—C17B | 99.90 (15) |
C17A—Fe1A—C25A | 146.12 (14) | C22B—Fe1B—C25B | 68.11 (14) |
C22A—Fe1A—C25A | 68.32 (14) | C17B—Fe1B—C25B | 148.87 (14) |
C17A—Fe1A—C16A | 41.65 (14) | C22B—Fe1B—C20B | 147.77 (14) |
C22A—Fe1A—C16A | 112.84 (14) | C17B—Fe1B—C20B | 68.45 (15) |
C25A—Fe1A—C16A | 111.08 (14) | C25B—Fe1B—C20B | 105.80 (14) |
C17A—Fe1A—C20A | 68.19 (16) | C22B—Fe1B—C21B | 41.39 (14) |
C22A—Fe1A—C20A | 151.37 (14) | C17B—Fe1B—C21B | 110.61 (14) |
C25A—Fe1A—C20A | 105.44 (15) | C25B—Fe1B—C21B | 41.45 (13) |
C16A—Fe1A—C20A | 41.42 (14) | C20B—Fe1B—C21B | 112.66 (14) |
C17A—Fe1A—C21A | 108.92 (14) | C22B—Fe1B—C16B | 109.66 (14) |
C22A—Fe1A—C21A | 41.81 (14) | C17B—Fe1B—C16B | 41.54 (14) |
C25A—Fe1A—C21A | 41.49 (13) | C25B—Fe1B—C16B | 113.43 (13) |
C16A—Fe1A—C21A | 91.43 (13) | C20B—Fe1B—C16B | 41.72 (13) |
C20A—Fe1A—C21A | 114.73 (14) | C21B—Fe1B—C16B | 91.17 (13) |
C17A—Fe1A—C18A | 40.82 (14) | C22B—Fe1B—C18B | 123.19 (16) |
C22A—Fe1A—C18A | 121.54 (17) | C17B—Fe1B—C18B | 40.89 (14) |
C25A—Fe1A—C18A | 169.32 (16) | C25B—Fe1B—C18B | 167.27 (15) |
C16A—Fe1A—C18A | 70.13 (15) | C20B—Fe1B—C18B | 68.09 (16) |
C20A—Fe1A—C18A | 68.05 (16) | C21B—Fe1B—C18B | 150.78 (15) |
C21A—Fe1A—C18A | 148.46 (15) | C16B—Fe1B—C18B | 70.03 (14) |
C17A—Fe1A—C23A | 125.00 (16) | C22B—Fe1B—C19B | 163.05 (15) |
C22A—Fe1A—C23A | 40.68 (14) | C17B—Fe1B—C19B | 68.06 (15) |
C25A—Fe1A—C23A | 68.10 (14) | C25B—Fe1B—C19B | 128.30 (15) |
C16A—Fe1A—C23A | 153.12 (14) | C20B—Fe1B—C19B | 40.51 (14) |
C20A—Fe1A—C23A | 164.90 (15) | C21B—Fe1B—C19B | 152.85 (15) |
C21A—Fe1A—C23A | 70.15 (14) | C16B—Fe1B—C19B | 69.82 (14) |
C18A—Fe1A—C23A | 115.95 (16) | C18B—Fe1B—C19B | 40.01 (15) |
C17A—Fe1A—C24A | 165.05 (16) | C22B—Fe1B—C24B | 67.66 (14) |
C22A—Fe1A—C24A | 68.21 (14) | C17B—Fe1B—C24B | 161.87 (15) |
C25A—Fe1A—C24A | 40.85 (13) | C25B—Fe1B—C24B | 40.39 (13) |
C16A—Fe1A—C24A | 151.13 (14) | C20B—Fe1B—C24B | 129.08 (15) |
C20A—Fe1A—C24A | 126.26 (15) | C21B—Fe1B—C24B | 69.42 (13) |
C21A—Fe1A—C24A | 70.21 (13) | C16B—Fe1B—C24B | 153.66 (14) |
C18A—Fe1A—C24A | 135.74 (15) | C18B—Fe1B—C24B | 134.56 (15) |
C23A—Fe1A—C24A | 40.14 (14) | C19B—Fe1B—C24B | 120.68 (15) |
C17A—Fe1A—C19A | 68.01 (16) | C22B—Fe1B—C23B | 40.54 (13) |
C22A—Fe1A—C19A | 160.83 (16) | C17B—Fe1B—C23B | 122.08 (16) |
C25A—Fe1A—C19A | 129.63 (16) | C25B—Fe1B—C23B | 67.98 (14) |
C16A—Fe1A—C19A | 69.83 (14) | C20B—Fe1B—C23B | 168.41 (14) |
C20A—Fe1A—C19A | 40.58 (15) | C21B—Fe1B—C23B | 69.69 (14) |
C21A—Fe1A—C19A | 155.22 (15) | C16B—Fe1B—C23B | 149.26 (14) |
C18A—Fe1A—C19A | 40.06 (16) | C18B—Fe1B—C23B | 115.85 (16) |
C23A—Fe1A—C19A | 132.79 (15) | C19B—Fe1B—C23B | 135.39 (15) |
C24A—Fe1A—C19A | 119.31 (15) | C24B—Fe1B—C23B | 40.03 (14) |
C17A—Fe1A—Ga1A | 72.79 (10) | C22B—Fe1B—Ga1B | 73.20 (10) |
C22A—Fe1A—Ga1A | 75.67 (10) | C17B—Fe1B—Ga1B | 74.00 (10) |
C25A—Fe1A—Ga1A | 73.41 (10) | C25B—Fe1B—Ga1B | 75.00 (9) |
C16A—Fe1A—Ga1A | 45.66 (9) | C20B—Fe1B—Ga1B | 74.67 (10) |
C20A—Fe1A—Ga1A | 75.81 (10) | C21B—Fe1B—Ga1B | 45.55 (9) |
C21A—Fe1A—Ga1A | 45.78 (10) | C16B—Fe1B—Ga1B | 45.64 (10) |
C18A—Fe1A—Ga1A | 111.81 (11) | C18B—Fe1B—Ga1B | 112.63 (11) |
C23A—Fe1A—Ga1A | 113.63 (10) | C19B—Fe1B—Ga1B | 112.70 (11) |
C24A—Fe1A—Ga1A | 112.37 (10) | C24B—Fe1B—Ga1B | 112.63 (10) |
C19A—Fe1A—Ga1A | 113.50 (11) | C23B—Fe1B—Ga1B | 111.74 (10) |
C16A—Ga1A—C21A | 92.68 (13) | C21B—Ga1B—C16B | 92.22 (13) |
C16A—Ga1A—C7A | 126.52 (13) | C21B—Ga1B—C7B | 123.85 (14) |
C21A—Ga1A—C7A | 127.08 (13) | C16B—Ga1B—C7B | 128.70 (13) |
C16A—Ga1A—N1A | 108.52 (13) | C21B—Ga1B—N1b | 109.34 (12) |
C21A—Ga1A—N1A | 104.33 (12) | C16B—Ga1B—N1b | 103.82 (13) |
C7A—Ga1A—N1A | 95.63 (12) | C7B—Ga1B—N1b | 97.21 (12) |
C16A—Ga1A—Fe1A | 46.20 (10) | C21B—Ga1B—Fe1B | 45.99 (9) |
C21A—Ga1A—Fe1A | 46.49 (9) | C16B—Ga1B—Fe1B | 46.24 (9) |
C7A—Ga1A—Fe1A | 150.96 (10) | C7B—Ga1B—Fe1B | 149.22 (10) |
N1A—Ga1A—Fe1A | 113.39 (7) | N1b—Ga1B—Fe1B | 113.56 (8) |
C2A—N1A—C6A | 119.4 (3) | C2B—N1b—C6B | 119.9 (3) |
C2A—N1A—Ga1A | 127.2 (2) | C2B—N1b—Ga1B | 125.4 (2) |
C6A—N1A—Ga1A | 113.4 (2) | C6B—N1b—Ga1B | 114.7 (2) |
C7A—Si1A—C9A | 115.99 (18) | C7B—Si1B—C8B | 115.92 (19) |
C7A—Si1A—C8A | 118.61 (18) | C7B—Si1B—C9B | 119.06 (18) |
C9A—Si1A—C8A | 106.4 (2) | C8B—Si1B—C9B | 104.3 (2) |
C7A—Si1A—C6A | 104.80 (15) | C7B—Si1B—C6B | 105.00 (15) |
C9A—Si1A—C6A | 102.99 (17) | C8B—Si1B—C6B | 103.99 (18) |
C8A—Si1A—C6A | 106.55 (17) | C9B—Si1B—C6B | 107.4 (2) |
C12A—Si2A—C11A | 105.13 (19) | C10B—Si2B—C12B | 106.0 (2) |
C12A—Si2A—C10A | 105.0 (2) | C10B—Si2B—C11B | 106.32 (19) |
C11A—Si2A—C10A | 107.7 (2) | C12B—Si2B—C11B | 105.7 (2) |
C12A—Si2A—C7A | 114.47 (17) | C10B—Si2B—C7B | 113.31 (18) |
C11A—Si2A—C7A | 113.26 (17) | C12B—Si2B—C7B | 112.28 (17) |
C10A—Si2A—C7A | 110.72 (17) | C11B—Si2B—C7B | 112.59 (18) |
C13A—Si3A—C15A | 105.8 (2) | C13B—Si3B—C15B | 104.13 (19) |
C13A—Si3A—C14A | 105.35 (19) | C13B—Si3B—C14B | 104.19 (18) |
C15A—Si3A—C14A | 105.70 (19) | C15B—Si3B—C14B | 108.8 (2) |
C13A—Si3A—C7A | 113.14 (17) | C13B—Si3B—C7B | 116.39 (16) |
C15A—Si3A—C7A | 114.06 (16) | C15B—Si3B—C7B | 109.75 (17) |
C14A—Si3A—C7A | 112.10 (17) | C14B—Si3B—C7B | 112.94 (17) |
N1A—C2A—C3A | 122.7 (3) | N1b—C2B—C3B | 122.5 (4) |
N1A—C2A—H2A | 118.6 | N1b—C2B—H2B | 118.7 |
C3A—C2A—H2A | 118.6 | C3B—C2B—H2B | 118.7 |
C2A—C3A—C4A | 119.4 (3) | C4B—C3B—C2B | 118.7 (4) |
C2A—C3A—H3A | 120.3 | C4B—C3B—H3B | 120.6 |
C4A—C3A—H3A | 120.3 | C2B—C3B—H3B | 120.6 |
C3A—C4A—C5A | 118.1 (3) | C3B—C4B—C5B | 119.2 (4) |
C3A—C4A—H4A | 121.0 | C3B—C4B—H4B | 120.4 |
C5A—C4A—H4A | 121.0 | C5B—C4B—H4B | 120.4 |
C6A—C5A—C4A | 120.9 (3) | C4B—C5B—C6B | 120.1 (4) |
C6A—C5A—H5A | 119.5 | C4B—C5B—H5B | 119.9 |
C4A—C5A—H5A | 119.5 | C6B—C5B—H5B | 119.9 |
N1A—C6A—C5A | 119.5 (3) | N1b—C6B—C5B | 119.5 (3) |
N1A—C6A—Si1A | 115.2 (2) | N1b—C6B—Si1B | 115.3 (3) |
C5A—C6A—Si1A | 125.2 (3) | C5B—C6B—Si1B | 125.0 (3) |
Si1A—C7A—Si3A | 111.64 (17) | Si1B—C7B—Si2B | 112.83 (18) |
Si1A—C7A—Si2A | 111.30 (18) | Si1B—C7B—Si3B | 110.04 (18) |
Si3A—C7A—Si2A | 112.52 (17) | Si2B—C7B—Si3B | 114.48 (18) |
Si1A—C7A—Ga1A | 100.45 (15) | Si1B—C7B—Ga1B | 102.21 (16) |
Si3A—C7A—Ga1A | 114.46 (17) | Si2B—C7B—Ga1B | 110.78 (17) |
Si2A—C7A—Ga1A | 105.75 (15) | Si3B—C7B—Ga1B | 105.57 (15) |
Si1A—C8A—H8A | 109.5 | Si1B—C8B—H8D | 109.5 |
Si1A—C8A—H8B | 109.5 | Si1B—C8B—H8E | 109.5 |
H8A—C8A—H8B | 109.5 | H8D—C8B—H8E | 109.5 |
Si1A—C8A—H8C | 109.5 | Si1B—C8B—H8F | 109.5 |
H8A—C8A—H8C | 109.5 | H8D—C8B—H8F | 109.5 |
H8B—C8A—H8C | 109.5 | H8E—C8B—H8F | 109.5 |
Si1A—C9A—H9A | 109.5 | Si1B—C9B—H9D | 109.5 |
Si1A—C9A—H9B | 109.5 | Si1B—C9B—H9E | 109.5 |
H9A—C9A—H9B | 109.5 | H9D—C9B—H9E | 109.5 |
Si1A—C9A—H9C | 109.5 | Si1B—C9B—H9F | 109.5 |
H9A—C9A—H9C | 109.5 | H9D—C9B—H9F | 109.5 |
H9B—C9A—H9C | 109.5 | H9E—C9B—H9F | 109.5 |
Si2A—C10A—H10A | 109.5 | Si2B—C10B—H10D | 109.5 |
Si2A—C10A—H10B | 109.5 | Si2B—C10B—H10E | 109.5 |
H10A—C10A—H10B | 109.5 | H10D—C10B—H10E | 109.5 |
Si2A—C10A—H10C | 109.5 | Si2B—C10B—H10F | 109.5 |
H10A—C10A—H10C | 109.5 | H10D—C10B—H10F | 109.5 |
H10B—C10A—H10C | 109.5 | H10E—C10B—H10F | 109.5 |
Si2A—C11A—H11A | 109.5 | Si2B—C11B—H11D | 109.5 |
Si2A—C11A—H11B | 109.5 | Si2B—C11B—H11E | 109.5 |
H11A—C11A—H11B | 109.5 | H11D—C11B—H11E | 109.5 |
Si2A—C11A—H11C | 109.5 | Si2B—C11B—H11F | 109.5 |
H11A—C11A—H11C | 109.5 | H11D—C11B—H11F | 109.5 |
H11B—C11A—H11C | 109.5 | H11E—C11B—H11F | 109.5 |
Si2A—C12A—H12A | 109.5 | Si2B—C12B—H12D | 109.5 |
Si2A—C12A—H12B | 109.5 | Si2B—C12B—H12E | 109.5 |
H12A—C12A—H12B | 109.5 | H12D—C12B—H12E | 109.5 |
Si2A—C12A—H12C | 109.5 | Si2B—C12B—H12F | 109.5 |
H12A—C12A—H12C | 109.5 | H12D—C12B—H12F | 109.5 |
H12B—C12A—H12C | 109.5 | H12E—C12B—H12F | 109.5 |
Si3A—C13A—H13A | 109.5 | Si3B—C13B—H13D | 109.5 |
Si3A—C13A—H13B | 109.5 | Si3B—C13B—H13E | 109.5 |
H13A—C13A—H13B | 109.5 | H13D—C13B—H13E | 109.5 |
Si3A—C13A—H13C | 109.5 | Si3B—C13B—H13F | 109.5 |
H13A—C13A—H13C | 109.5 | H13D—C13B—H13F | 109.5 |
H13B—C13A—H13C | 109.5 | H13E—C13B—H13F | 109.5 |
Si3A—C14A—H14A | 109.5 | Si3B—C14B—H14D | 109.5 |
Si3A—C14A—H14B | 109.5 | Si3B—C14B—H14E | 109.5 |
H14A—C14A—H14B | 109.5 | H14D—C14B—H14E | 109.5 |
Si3A—C14A—H14C | 109.5 | Si3B—C14B—H14F | 109.5 |
H14A—C14A—H14C | 109.5 | H14D—C14B—H14F | 109.5 |
H14B—C14A—H14C | 109.5 | H14E—C14B—H14F | 109.5 |
Si3A—C15A—H15A | 109.5 | Si3B—C15B—H15D | 109.5 |
Si3A—C15A—H15B | 109.5 | Si3B—C15B—H15E | 109.5 |
H15A—C15A—H15B | 109.5 | H15D—C15B—H15E | 109.5 |
Si3A—C15A—H15C | 109.5 | Si3B—C15B—H15F | 109.5 |
H15A—C15A—H15C | 109.5 | H15D—C15B—H15F | 109.5 |
H15B—C15A—H15C | 109.5 | H15E—C15B—H15F | 109.5 |
C20A—C16A—C17A | 104.1 (3) | C17B—C16B—C20B | 104.1 (3) |
C20A—C16A—Ga1A | 122.7 (3) | C17B—C16B—Ga1B | 118.3 (3) |
C17A—C16A—Ga1A | 115.5 (3) | C20B—C16B—Ga1B | 119.5 (2) |
C20A—C16A—Fe1A | 69.30 (19) | C17B—C16B—Fe1B | 68.46 (19) |
C17A—C16A—Fe1A | 68.5 (2) | C20B—C16B—Fe1B | 68.75 (19) |
Ga1A—C16A—Fe1A | 88.14 (13) | Ga1B—C16B—Fe1B | 88.12 (13) |
C18A—C17A—C16A | 110.2 (3) | C18B—C17B—C16B | 110.1 (3) |
C18A—C17A—Fe1A | 70.7 (2) | C18B—C17B—Fe1B | 70.5 (2) |
C16A—C17A—Fe1A | 69.83 (19) | C16B—C17B—Fe1B | 70.00 (19) |
C18A—C17A—H17A | 124.9 | C18B—C17B—H17B | 124.9 |
C16A—C17A—H17A | 124.9 | C16B—C17B—H17B | 124.9 |
Fe1A—C17A—H17A | 126.2 | Fe1B—C17B—H17B | 126.1 |
C19A—C18A—C17A | 107.8 (4) | C19B—C18B—C17B | 107.8 (3) |
C19A—C18A—Fe1A | 70.7 (2) | C19B—C18B—Fe1B | 70.5 (2) |
C17A—C18A—Fe1A | 68.5 (2) | C17B—C18B—Fe1B | 68.6 (2) |
C19A—C18A—H18A | 126.1 | C19B—C18B—H18B | 126.1 |
C17A—C18A—H18A | 126.1 | C17B—C18B—H18B | 126.1 |
Fe1A—C18A—H18A | 126.3 | Fe1B—C18B—H18B | 126.4 |
C18A—C19A—C20A | 107.6 (3) | C18B—C19B—C20B | 108.1 (3) |
C18A—C19A—Fe1A | 69.3 (2) | C18B—C19B—Fe1B | 69.5 (2) |
C20A—C19A—Fe1A | 68.6 (2) | C20B—C19B—Fe1B | 68.7 (2) |
C18A—C19A—H19A | 126.2 | C18B—C19B—H19B | 126.0 |
C20A—C19A—H19A | 126.2 | C20B—C19B—H19B | 126.0 |
Fe1A—C19A—H19A | 127.5 | Fe1B—C19B—H19B | 127.4 |
C19A—C20A—C16A | 110.2 (4) | C19B—C20B—C16B | 109.9 (3) |
C19A—C20A—Fe1A | 70.8 (2) | C19B—C20B—Fe1B | 70.8 (2) |
C16A—C20A—Fe1A | 69.3 (2) | C16B—C20B—Fe1B | 69.5 (2) |
C19A—C20A—H20A | 124.9 | C19B—C20B—H20B | 125.0 |
C16A—C20A—H20A | 124.9 | C16B—C20B—H20B | 125.0 |
Fe1A—C20A—H20A | 126.6 | Fe1B—C20B—H20B | 126.2 |
C25A—C21A—C22A | 103.7 (3) | C22B—C21B—C25B | 104.4 (3) |
C25A—C21A—Ga1A | 116.7 (2) | C22B—C21B—Ga1B | 117.2 (2) |
C22A—C21A—Ga1A | 121.0 (2) | C25B—C21B—Ga1B | 121.1 (2) |
C25A—C21A—Fe1A | 68.61 (18) | C22B—C21B—Fe1B | 68.79 (19) |
C22A—C21A—Fe1A | 68.43 (19) | C25B—C21B—Fe1B | 69.13 (19) |
Ga1A—C21A—Fe1A | 87.73 (13) | Ga1B—C21B—Fe1B | 88.46 (13) |
C23A—C22A—C21A | 110.3 (3) | C23B—C22B—C21B | 110.7 (3) |
C23A—C22A—Fe1A | 70.7 (2) | C23B—C22B—Fe1B | 71.7 (2) |
C21A—C22A—Fe1A | 69.76 (19) | C21B—C22B—Fe1B | 69.8 (2) |
C23A—C22A—H22A | 124.9 | C23B—C22B—H22B | 124.6 |
C21A—C22A—H22A | 124.9 | C21B—C22B—H22B | 124.6 |
Fe1A—C22A—H22A | 126.2 | Fe1B—C22B—H22B | 125.5 |
C24A—C23A—C22A | 108.0 (3) | C24B—C23B—C22B | 106.8 (3) |
C24A—C23A—Fe1A | 70.0 (2) | C24B—C23B—Fe1B | 69.7 (2) |
C22A—C23A—Fe1A | 68.6 (2) | C22B—C23B—Fe1B | 67.8 (2) |
C24A—C23A—H23A | 126.0 | C24B—C23B—H23B | 126.6 |
C22A—C23A—H23A | 126.0 | C22B—C23B—H23B | 126.6 |
Fe1A—C23A—H23A | 127.0 | Fe1B—C23B—H23B | 127.4 |
C23A—C24A—C25A | 107.4 (3) | C25B—C24B—C23B | 108.3 (3) |
C23A—C24A—Fe1A | 69.9 (2) | C25B—C24B—Fe1B | 68.52 (19) |
C25A—C24A—Fe1A | 68.48 (19) | C23B—C24B—Fe1B | 70.3 (2) |
C23A—C24A—H24A | 126.3 | C25B—C24B—H24B | 125.8 |
C25A—C24A—H24A | 126.3 | C23B—C24B—H24B | 125.8 |
Fe1A—C24A—H24A | 126.9 | Fe1B—C24B—H24B | 126.9 |
C24A—C25A—C21A | 110.6 (3) | C24B—C25B—C21B | 109.8 (3) |
C24A—C25A—Fe1A | 70.67 (19) | C24B—C25B—Fe1B | 71.1 (2) |
C21A—C25A—Fe1A | 69.90 (19) | C21B—C25B—Fe1B | 69.42 (19) |
C24A—C25A—H25A | 124.7 | C24B—C25B—H25B | 125.1 |
C21A—C25A—H25A | 124.7 | C21B—C25B—H25B | 125.1 |
Fe1A—C25A—H25A | 126.4 | Fe1B—C25B—H25B | 126.0 |
C17A—Fe1A—Ga1A—C16A | −37.72 (18) | C22B—Fe1B—Ga1B—C21B | 36.71 (17) |
C22A—Fe1A—Ga1A—C16A | −144.10 (18) | C17B—Fe1B—Ga1B—C21B | 142.58 (18) |
C25A—Fe1A—Ga1A—C16A | 144.67 (18) | C25B—Fe1B—Ga1B—C21B | −34.49 (17) |
C20A—Fe1A—Ga1A—C16A | 33.45 (18) | C20B—Fe1B—Ga1B—C21B | −145.95 (17) |
C21A—Fe1A—Ga1A—C16A | −178.5 (2) | C16B—Fe1B—Ga1B—C21B | 178.6 (2) |
C18A—Fe1A—Ga1A—C16A | −25.5 (2) | C18B—Fe1B—Ga1B—C21B | 156.29 (19) |
C23A—Fe1A—Ga1A—C16A | −159.04 (18) | C19B—Fe1B—Ga1B—C21B | −160.19 (18) |
C24A—Fe1A—Ga1A—C16A | 157.20 (18) | C24B—Fe1B—Ga1B—C21B | −19.52 (18) |
C19A—Fe1A—Ga1A—C16A | 18.08 (19) | C23B—Fe1B—Ga1B—C21B | 23.85 (18) |
C17A—Fe1A—Ga1A—C21A | 140.81 (18) | C22B—Fe1B—Ga1B—C16B | −141.88 (18) |
C22A—Fe1A—Ga1A—C21A | 34.43 (17) | C17B—Fe1B—Ga1B—C16B | −36.02 (18) |
C25A—Fe1A—Ga1A—C21A | −36.80 (17) | C25B—Fe1B—Ga1B—C16B | 146.91 (17) |
C16A—Fe1A—Ga1A—C21A | 178.5 (2) | C20B—Fe1B—Ga1B—C16B | 35.46 (17) |
C20A—Fe1A—Ga1A—C21A | −148.02 (17) | C21B—Fe1B—Ga1B—C16B | −178.6 (2) |
C18A—Fe1A—Ga1A—C21A | 153.07 (19) | C18B—Fe1B—Ga1B—C16B | −22.30 (19) |
C23A—Fe1A—Ga1A—C21A | 19.48 (17) | C19B—Fe1B—Ga1B—C16B | 21.22 (18) |
C24A—Fe1A—Ga1A—C21A | −24.27 (18) | C24B—Fe1B—Ga1B—C16B | 161.89 (18) |
C19A—Fe1A—Ga1A—C21A | −163.40 (19) | C23B—Fe1B—Ga1B—C16B | −154.74 (18) |
C17A—Fe1A—Ga1A—C7A | 50.7 (2) | C22B—Fe1B—Ga1B—C7B | −47.1 (2) |
C22A—Fe1A—Ga1A—C7A | −55.7 (2) | C17B—Fe1B—Ga1B—C7B | 58.8 (2) |
C25A—Fe1A—Ga1A—C7A | −127.0 (2) | C25B—Fe1B—Ga1B—C7B | −118.3 (2) |
C16A—Fe1A—Ga1A—C7A | 88.4 (2) | C20B—Fe1B—Ga1B—C7B | 130.3 (2) |
C20A—Fe1A—Ga1A—C7A | 121.8 (2) | C21B—Fe1B—Ga1B—C7B | −83.8 (2) |
C21A—Fe1A—Ga1A—C7A | −90.2 (2) | C16B—Fe1B—Ga1B—C7B | 94.8 (2) |
C18A—Fe1A—Ga1A—C7A | 62.9 (2) | C18B—Fe1B—Ga1B—C7B | 72.5 (2) |
C23A—Fe1A—Ga1A—C7A | −70.7 (2) | C19B—Fe1B—Ga1B—C7B | 116.0 (2) |
C24A—Fe1A—Ga1A—C7A | −114.4 (2) | C24B—Fe1B—Ga1B—C7B | −103.3 (2) |
C19A—Fe1A—Ga1A—C7A | 106.4 (2) | C23B—Fe1B—Ga1B—C7B | −59.9 (2) |
C17A—Fe1A—Ga1A—N1A | −131.42 (15) | C22B—Fe1B—Ga1B—N1b | 131.36 (14) |
C22A—Fe1A—Ga1A—N1A | 122.20 (13) | C17B—Fe1B—Ga1B—N1b | −122.77 (15) |
C25A—Fe1A—Ga1A—N1A | 50.97 (13) | C25B—Fe1B—Ga1B—N1b | 60.16 (14) |
C16A—Fe1A—Ga1A—N1A | −93.71 (16) | C20B—Fe1B—Ga1B—N1b | −51.29 (14) |
C20A—Fe1A—Ga1A—N1A | −60.25 (14) | C21B—Fe1B—Ga1B—N1b | 94.65 (16) |
C21A—Fe1A—Ga1A—N1A | 87.77 (16) | C16B—Fe1B—Ga1B—N1b | −86.75 (16) |
C18A—Fe1A—Ga1A—N1A | −119.16 (16) | C18B—Fe1B—Ga1B—N1b | −109.05 (16) |
C23A—Fe1A—Ga1A—N1A | 107.26 (14) | C19B—Fe1B—Ga1B—N1b | −65.53 (14) |
C24A—Fe1A—Ga1A—N1A | 63.50 (14) | C24B—Fe1B—Ga1B—N1b | 75.14 (14) |
C19A—Fe1A—Ga1A—N1A | −75.63 (16) | C23B—Fe1B—Ga1B—N1b | 118.51 (14) |
C16A—Ga1A—N1A—C2A | −31.2 (3) | C21B—Ga1B—N1b—C2B | 39.6 (3) |
C21A—Ga1A—N1A—C2A | 66.7 (3) | C16B—Ga1B—N1b—C2B | −57.8 (3) |
C7A—Ga1A—N1A—C2A | −162.7 (3) | C7B—Ga1B—N1b—C2B | 169.3 (3) |
Fe1A—Ga1A—N1A—C2A | 18.3 (3) | Fe1B—Ga1B—N1b—C2B | −9.8 (3) |
C16A—Ga1A—N1A—C6A | 151.7 (2) | C21B—Ga1B—N1b—C6B | −142.0 (2) |
C21A—Ga1A—N1A—C6A | −110.5 (2) | C16B—Ga1B—N1b—C6B | 120.6 (2) |
C7A—Ga1A—N1A—C6A | 20.1 (2) | C7B—Ga1B—N1b—C6B | −12.3 (3) |
Fe1A—Ga1A—N1A—C6A | −158.9 (2) | Fe1B—Ga1B—N1b—C6B | 168.5 (2) |
C6A—N1A—C2A—C3A | −0.5 (5) | C6B—N1b—C2B—C3B | −1.0 (5) |
Ga1A—N1A—C2A—C3A | −177.5 (3) | Ga1B—N1b—C2B—C3B | 177.3 (3) |
N1A—C2A—C3A—C4A | 0.9 (6) | N1b—C2B—C3B—C4B | 0.6 (6) |
C2A—C3A—C4A—C5A | −0.4 (6) | C2B—C3B—C4B—C5B | 0.3 (6) |
C3A—C4A—C5A—C6A | −0.4 (6) | C3B—C4B—C5B—C6B | −0.8 (6) |
C2A—N1A—C6A—C5A | −0.4 (5) | C2B—N1b—C6B—C5B | 0.5 (5) |
Ga1A—N1A—C6A—C5A | 177.0 (3) | Ga1B—N1b—C6B—C5B | −177.9 (3) |
C2A—N1A—C6A—Si1A | −178.9 (2) | C2B—N1b—C6B—Si1B | 176.4 (3) |
Ga1A—N1A—C6A—Si1A | −1.5 (3) | Ga1B—N1b—C6B—Si1B | −2.0 (3) |
C4A—C5A—C6A—N1A | 0.8 (5) | C4B—C5B—C6B—N1b | 0.4 (6) |
C4A—C5A—C6A—Si1A | 179.1 (3) | C4B—C5B—C6B—Si1B | −175.1 (3) |
C7A—Si1A—C6A—N1A | −20.3 (3) | C7B—Si1B—C6B—N1b | 17.3 (3) |
C9A—Si1A—C6A—N1A | 101.4 (3) | C8B—Si1B—C6B—N1b | −104.9 (3) |
C8A—Si1A—C6A—N1A | −146.9 (3) | C9B—Si1B—C6B—N1b | 144.9 (3) |
C7A—Si1A—C6A—C5A | 161.3 (3) | C7B—Si1B—C6B—C5B | −167.1 (3) |
C9A—Si1A—C6A—C5A | −77.0 (3) | C8B—Si1B—C6B—C5B | 70.7 (4) |
C8A—Si1A—C6A—C5A | 34.7 (4) | C9B—Si1B—C6B—C5B | −39.5 (4) |
C9A—Si1A—C7A—Si3A | 39.3 (2) | C8B—Si1B—C7B—Si2B | −27.6 (3) |
C8A—Si1A—C7A—Si3A | −89.2 (2) | C9B—Si1B—C7B—Si2B | 98.2 (3) |
C6A—Si1A—C7A—Si3A | 152.12 (17) | C6B—Si1B—C7B—Si2B | −141.67 (18) |
C9A—Si1A—C7A—Si2A | 165.97 (19) | C8B—Si1B—C7B—Si3B | −156.77 (18) |
C8A—Si1A—C7A—Si2A | 37.4 (3) | C9B—Si1B—C7B—Si3B | −31.0 (3) |
C6A—Si1A—C7A—Si2A | −81.23 (18) | C6B—Si1B—C7B—Si3B | 89.12 (19) |
C9A—Si1A—C7A—Ga1A | −82.4 (2) | C8B—Si1B—C7B—Ga1B | 91.4 (2) |
C8A—Si1A—C7A—Ga1A | 149.05 (18) | C9B—Si1B—C7B—Ga1B | −142.8 (2) |
C6A—Si1A—C7A—Ga1A | 30.37 (18) | C6B—Si1B—C7B—Ga1B | −22.67 (19) |
C13A—Si3A—C7A—Si1A | 171.91 (19) | C10B—Si2B—C7B—Si1B | 65.3 (2) |
C15A—Si3A—C7A—Si1A | −67.1 (2) | C12B—Si2B—C7B—Si1B | −174.6 (2) |
C14A—Si3A—C7A—Si1A | 52.9 (2) | C11B—Si2B—C7B—Si1B | −55.4 (3) |
C13A—Si3A—C7A—Si2A | 45.9 (2) | C10B—Si2B—C7B—Si3B | −167.81 (19) |
C15A—Si3A—C7A—Si2A | 166.88 (18) | C12B—Si2B—C7B—Si3B | −47.7 (2) |
C14A—Si3A—C7A—Si2A | −73.0 (2) | C11B—Si2B—C7B—Si3B | 71.5 (2) |
C13A—Si3A—C7A—Ga1A | −74.8 (2) | C10B—Si2B—C7B—Ga1B | −48.6 (2) |
C15A—Si3A—C7A—Ga1A | 46.1 (2) | C12B—Si2B—C7B—Ga1B | 71.5 (2) |
C14A—Si3A—C7A—Ga1A | 166.20 (18) | C11B—Si2B—C7B—Ga1B | −169.30 (19) |
C12A—Si2A—C7A—Si1A | 164.59 (18) | C13B—Si3B—C7B—Si1B | −169.17 (17) |
C11A—Si2A—C7A—Si1A | −74.9 (2) | C15B—Si3B—C7B—Si1B | −51.3 (2) |
C10A—Si2A—C7A—Si1A | 46.2 (2) | C14B—Si3B—C7B—Si1B | 70.3 (2) |
C12A—Si2A—C7A—Si3A | −69.2 (2) | C13B—Si3B—C7B—Si2B | 62.5 (2) |
C11A—Si2A—C7A—Si3A | 51.3 (2) | C15B—Si3B—C7B—Si2B | −179.59 (19) |
C10A—Si2A—C7A—Si3A | 172.32 (19) | C14B—Si3B—C7B—Si2B | −58.0 (2) |
C12A—Si2A—C7A—Ga1A | 56.4 (2) | C13B—Si3B—C7B—Ga1B | −59.6 (2) |
C11A—Si2A—C7A—Ga1A | 176.91 (18) | C15B—Si3B—C7B—Ga1B | 58.3 (2) |
C10A—Si2A—C7A—Ga1A | −62.0 (2) | C14B—Si3B—C7B—Ga1B | 179.93 (17) |
C16A—Ga1A—C7A—Si1A | −146.69 (15) | C21B—Ga1B—C7B—Si1B | 139.57 (15) |
C21A—Ga1A—C7A—Si1A | 84.1 (2) | C16B—Ga1B—C7B—Si1B | −93.8 (2) |
N1A—Ga1A—C7A—Si1A | −28.65 (15) | N1b—Ga1B—C7B—Si1B | 20.43 (16) |
Fe1A—Ga1A—C7A—Si1A | 149.43 (10) | Fe1B—Ga1B—C7B—Si1B | −161.02 (8) |
C16A—Ga1A—C7A—Si3A | 93.6 (2) | C21B—Ga1B—C7B—Si2B | −99.99 (19) |
C21A—Ga1A—C7A—Si3A | −35.7 (2) | C16B—Ga1B—C7B—Si2B | 26.7 (3) |
N1A—Ga1A—C7A—Si3A | −148.37 (16) | N1b—Ga1B—C7B—Si2B | 140.88 (16) |
Fe1A—Ga1A—C7A—Si3A | 29.7 (3) | Fe1B—Ga1B—C7B—Si2B | −40.6 (3) |
C16A—Ga1A—C7A—Si2A | −30.8 (2) | C21B—Ga1B—C7B—Si3B | 24.5 (2) |
C21A—Ga1A—C7A—Si2A | −160.09 (14) | C16B—Ga1B—C7B—Si3B | 151.13 (15) |
N1A—Ga1A—C7A—Si2A | 87.19 (16) | N1b—Ga1B—C7B—Si3B | −94.67 (16) |
Fe1A—Ga1A—C7A—Si2A | −94.7 (2) | Fe1B—Ga1B—C7B—Si3B | 83.9 (2) |
C21A—Ga1A—C16A—C20A | −64.9 (3) | C21B—Ga1B—C16B—C17B | 63.2 (3) |
C7A—Ga1A—C16A—C20A | 153.3 (3) | C7B—Ga1B—C16B—C17B | −75.0 (3) |
N1A—Ga1A—C16A—C20A | 41.2 (3) | N1b—Ga1B—C16B—C17B | 173.8 (2) |
Fe1A—Ga1A—C16A—C20A | −63.8 (3) | Fe1B—Ga1B—C16B—C17B | 64.2 (2) |
C21A—Ga1A—C16A—C17A | 64.0 (3) | C21B—Ga1B—C16B—C20B | −65.2 (3) |
C7A—Ga1A—C16A—C17A | −77.8 (3) | C7B—Ga1B—C16B—C20B | 156.6 (2) |
N1A—Ga1A—C16A—C17A | 170.1 (2) | N1b—Ga1B—C16B—C20B | 45.3 (3) |
Fe1A—Ga1A—C16A—C17A | 65.1 (2) | Fe1B—Ga1B—C16B—C20B | −64.2 (2) |
C21A—Ga1A—C16A—Fe1A | −1.07 (14) | C21B—Ga1B—C16B—Fe1B | −1.01 (14) |
C7A—Ga1A—C16A—Fe1A | −142.86 (13) | C7B—Ga1B—C16B—Fe1B | −139.20 (14) |
N1A—Ga1A—C16A—Fe1A | 105.01 (13) | N1b—Ga1B—C16B—Fe1B | 109.53 (12) |
C17A—Fe1A—C16A—C20A | −115.4 (3) | C22B—Fe1B—C16B—C17B | −82.7 (2) |
C22A—Fe1A—C16A—C20A | 164.2 (2) | C25B—Fe1B—C16B—C17B | −156.6 (2) |
C25A—Fe1A—C16A—C20A | 89.7 (2) | C20B—Fe1B—C16B—C17B | 115.7 (3) |
C21A—Fe1A—C16A—C20A | 127.2 (2) | C21B—Fe1B—C16B—C17B | −120.5 (2) |
C18A—Fe1A—C16A—C20A | −79.0 (2) | C18B—Fe1B—C16B—C17B | 36.6 (2) |
C23A—Fe1A—C16A—C20A | 172.6 (3) | C19B—Fe1B—C16B—C17B | 79.3 (2) |
C24A—Fe1A—C16A—C20A | 78.2 (3) | C24B—Fe1B—C16B—C17B | −161.8 (3) |
C19A—Fe1A—C16A—C20A | −36.2 (2) | C23B—Fe1B—C16B—C17B | −70.7 (3) |
Ga1A—Fe1A—C16A—C20A | 126.1 (2) | Ga1B—Fe1B—C16B—C17B | −121.5 (2) |
C22A—Fe1A—C16A—C17A | −80.4 (2) | C22B—Fe1B—C16B—C20B | 161.6 (2) |
C25A—Fe1A—C16A—C17A | −154.9 (2) | C17B—Fe1B—C16B—C20B | −115.7 (3) |
C20A—Fe1A—C16A—C17A | 115.4 (3) | C25B—Fe1B—C16B—C20B | 87.7 (2) |
C21A—Fe1A—C16A—C17A | −117.4 (2) | C21B—Fe1B—C16B—C20B | 123.8 (2) |
C18A—Fe1A—C16A—C17A | 36.5 (2) | C18B—Fe1B—C16B—C20B | −79.1 (2) |
C23A—Fe1A—C16A—C17A | −72.0 (4) | C19B—Fe1B—C16B—C20B | −36.4 (2) |
C24A—Fe1A—C16A—C17A | −166.4 (3) | C24B—Fe1B—C16B—C20B | 82.5 (4) |
C19A—Fe1A—C16A—C17A | 79.2 (2) | C23B—Fe1B—C16B—C20B | 173.6 (3) |
Ga1A—Fe1A—C16A—C17A | −118.4 (2) | Ga1B—Fe1B—C16B—C20B | 122.8 (2) |
C17A—Fe1A—C16A—Ga1A | 118.4 (2) | C22B—Fe1B—C16B—Ga1B | 38.86 (17) |
C22A—Fe1A—C16A—Ga1A | 38.06 (18) | C17B—Fe1B—C16B—Ga1B | 121.5 (2) |
C25A—Fe1A—C16A—Ga1A | −36.44 (17) | C25B—Fe1B—C16B—Ga1B | −35.08 (17) |
C20A—Fe1A—C16A—Ga1A | −126.1 (3) | C20B—Fe1B—C16B—Ga1B | −122.8 (2) |
C21A—Fe1A—C16A—Ga1A | 1.06 (14) | C21B—Fe1B—C16B—Ga1B | 1.00 (14) |
C18A—Fe1A—C16A—Ga1A | 154.89 (19) | C18B—Fe1B—C16B—Ga1B | 158.12 (18) |
C23A—Fe1A—C16A—Ga1A | 46.5 (4) | C19B—Fe1B—C16B—Ga1B | −159.16 (17) |
C24A—Fe1A—C16A—Ga1A | −47.9 (3) | C24B—Fe1B—C16B—Ga1B | −40.3 (4) |
C19A—Fe1A—C16A—Ga1A | −162.35 (19) | C23B—Fe1B—C16B—Ga1B | 50.9 (3) |
C20A—C16A—C17A—C18A | 1.3 (4) | C20B—C16B—C17B—C18B | 0.7 (4) |
Ga1A—C16A—C17A—C18A | −136.2 (3) | Ga1B—C16B—C17B—C18B | −134.6 (3) |
Fe1A—C16A—C17A—C18A | −59.3 (3) | Fe1B—C16B—C17B—C18B | −59.2 (3) |
C20A—C16A—C17A—Fe1A | 60.6 (2) | C20B—C16B—C17B—Fe1B | 60.0 (2) |
Ga1A—C16A—C17A—Fe1A | −76.90 (19) | Ga1B—C16B—C17B—Fe1B | −75.4 (2) |
C22A—Fe1A—C17A—C18A | −126.4 (3) | C22B—Fe1B—C17B—C18B | −130.3 (2) |
C25A—Fe1A—C17A—C18A | 166.6 (3) | C25B—Fe1B—C17B—C18B | 166.0 (3) |
C16A—Fe1A—C17A—C18A | 121.3 (3) | C20B—Fe1B—C17B—C18B | 81.0 (3) |
C20A—Fe1A—C17A—C18A | 81.2 (3) | C21B—Fe1B—C17B—C18B | −171.9 (2) |
C21A—Fe1A—C17A—C18A | −169.0 (2) | C16B—Fe1B—C17B—C18B | 121.1 (3) |
C23A—Fe1A—C17A—C18A | −90.4 (3) | C19B—Fe1B—C17B—C18B | 37.2 (2) |
C24A—Fe1A—C17A—C18A | −84.9 (6) | C24B—Fe1B—C17B—C18B | −85.3 (5) |
C19A—Fe1A—C17A—C18A | 37.3 (2) | C23B—Fe1B—C17B—C18B | −93.6 (3) |
Ga1A—Fe1A—C17A—C18A | 162.4 (3) | Ga1B—Fe1B—C17B—C18B | 160.5 (2) |
C22A—Fe1A—C17A—C16A | 112.3 (2) | C22B—Fe1B—C17B—C16B | 108.5 (2) |
C25A—Fe1A—C17A—C16A | 45.3 (4) | C25B—Fe1B—C17B—C16B | 44.8 (4) |
C20A—Fe1A—C17A—C16A | −40.1 (2) | C20B—Fe1B—C17B—C16B | −40.1 (2) |
C21A—Fe1A—C17A—C16A | 69.8 (2) | C21B—Fe1B—C17B—C16B | 67.0 (2) |
C18A—Fe1A—C17A—C16A | −121.3 (3) | C18B—Fe1B—C17B—C16B | −121.1 (3) |
C23A—Fe1A—C17A—C16A | 148.3 (2) | C19B—Fe1B—C17B—C16B | −83.9 (2) |
C24A—Fe1A—C17A—C16A | 153.8 (5) | C24B—Fe1B—C17B—C16B | 153.6 (4) |
C19A—Fe1A—C17A—C16A | −83.9 (2) | C23B—Fe1B—C17B—C16B | 145.3 (2) |
Ga1A—Fe1A—C17A—C16A | 41.17 (17) | Ga1B—Fe1B—C17B—C16B | 39.34 (18) |
C16A—C17A—C18A—C19A | −1.2 (4) | C16B—C17B—C18B—C19B | −0.8 (4) |
Fe1A—C17A—C18A—C19A | −60.0 (3) | Fe1B—C17B—C18B—C19B | −59.8 (3) |
C16A—C17A—C18A—Fe1A | 58.8 (3) | C16B—C17B—C18B—Fe1B | 58.9 (3) |
C17A—Fe1A—C18A—C19A | 119.1 (3) | C22B—Fe1B—C18B—C19B | −177.0 (2) |
C22A—Fe1A—C18A—C19A | −172.8 (2) | C17B—Fe1B—C18B—C19B | 119.2 (3) |
C25A—Fe1A—C18A—C19A | −16.5 (9) | C25B—Fe1B—C18B—C19B | −26.1 (8) |
C16A—Fe1A—C18A—C19A | 82.0 (2) | C20B—Fe1B—C18B—C19B | 37.3 (2) |
C20A—Fe1A—C18A—C19A | 37.5 (2) | C21B—Fe1B—C18B—C19B | 134.9 (3) |
C21A—Fe1A—C18A—C19A | 139.4 (3) | C16B—Fe1B—C18B—C19B | 82.1 (2) |
C23A—Fe1A—C18A—C19A | −126.5 (2) | C24B—Fe1B—C18B—C19B | −86.6 (3) |
C24A—Fe1A—C18A—C19A | −82.5 (3) | C23B—Fe1B—C18B—C19B | −130.8 (2) |
Ga1A—Fe1A—C18A—C19A | 101.0 (2) | Ga1B—Fe1B—C18B—C19B | 98.8 (2) |
C22A—Fe1A—C18A—C17A | 68.1 (3) | C22B—Fe1B—C18B—C17B | 63.8 (3) |
C25A—Fe1A—C18A—C17A | −135.6 (8) | C25B—Fe1B—C18B—C17B | −145.3 (6) |
C16A—Fe1A—C18A—C17A | −37.2 (2) | C20B—Fe1B—C18B—C17B | −81.9 (2) |
C20A—Fe1A—C18A—C17A | −81.6 (3) | C21B—Fe1B—C18B—C17B | 15.6 (4) |
C21A—Fe1A—C18A—C17A | 20.3 (4) | C16B—Fe1B—C18B—C17B | −37.2 (2) |
C23A—Fe1A—C18A—C17A | 114.4 (3) | C19B—Fe1B—C18B—C17B | −119.2 (3) |
C24A—Fe1A—C18A—C17A | 158.4 (2) | C24B—Fe1B—C18B—C17B | 154.2 (2) |
C19A—Fe1A—C18A—C17A | −119.1 (3) | C23B—Fe1B—C18B—C17B | 110.0 (2) |
Ga1A—Fe1A—C18A—C17A | −18.1 (3) | Ga1B—Fe1B—C18B—C17B | −20.4 (3) |
C17A—C18A—C19A—C20A | 0.6 (4) | C17B—C18B—C19B—C20B | 0.6 (4) |
Fe1A—C18A—C19A—C20A | −58.0 (2) | Fe1B—C18B—C19B—C20B | −58.0 (2) |
C17A—C18A—C19A—Fe1A | 58.6 (3) | C17B—C18B—C19B—Fe1B | 58.6 (3) |
C17A—Fe1A—C19A—C18A | −38.0 (2) | C22B—Fe1B—C19B—C18B | 8.7 (6) |
C22A—Fe1A—C19A—C18A | 18.9 (6) | C17B—Fe1B—C19B—C18B | −38.0 (2) |
C25A—Fe1A—C19A—C18A | 176.1 (2) | C25B—Fe1B—C19B—C18B | 172.9 (2) |
C16A—Fe1A—C19A—C18A | −82.8 (2) | C20B—Fe1B—C19B—C18B | −120.1 (3) |
C20A—Fe1A—C19A—C18A | −119.7 (3) | C21B—Fe1B—C19B—C18B | −130.7 (3) |
C21A—Fe1A—C19A—C18A | −125.7 (4) | C16B—Fe1B—C19B—C18B | −82.6 (2) |
C23A—Fe1A—C19A—C18A | 79.9 (3) | C24B—Fe1B—C19B—C18B | 124.2 (2) |
C24A—Fe1A—C19A—C18A | 127.5 (2) | C23B—Fe1B—C19B—C18B | 76.0 (3) |
Ga1A—Fe1A—C19A—C18A | −96.5 (2) | Ga1B—Fe1B—C19B—C18B | −98.6 (2) |
C17A—Fe1A—C19A—C20A | 81.7 (2) | C22B—Fe1B—C19B—C20B | 128.8 (5) |
C22A—Fe1A—C19A—C20A | 138.6 (4) | C17B—Fe1B—C19B—C20B | 82.0 (2) |
C25A—Fe1A—C19A—C20A | −64.2 (3) | C25B—Fe1B—C19B—C20B | −67.0 (3) |
C16A—Fe1A—C19A—C20A | 36.9 (2) | C21B—Fe1B—C19B—C20B | −10.6 (4) |
C21A—Fe1A—C19A—C20A | −6.0 (5) | C16B—Fe1B—C19B—C20B | 37.4 (2) |
C18A—Fe1A—C19A—C20A | 119.7 (3) | C18B—Fe1B—C19B—C20B | 120.1 (3) |
C23A—Fe1A—C19A—C20A | −160.3 (2) | C24B—Fe1B—C19B—C20B | −115.7 (2) |
C24A—Fe1A—C19A—C20A | −112.8 (2) | C23B—Fe1B—C19B—C20B | −163.9 (2) |
Ga1A—Fe1A—C19A—C20A | 23.3 (3) | Ga1B—Fe1B—C19B—C20B | 21.4 (2) |
C18A—C19A—C20A—C16A | 0.2 (4) | C18B—C19B—C20B—C16B | −0.1 (4) |
Fe1A—C19A—C20A—C16A | −58.2 (2) | Fe1B—C19B—C20B—C16B | −58.7 (2) |
C18A—C19A—C20A—Fe1A | 58.4 (3) | C18B—C19B—C20B—Fe1B | 58.5 (3) |
C17A—C16A—C20A—C19A | −0.9 (4) | C17B—C16B—C20B—C19B | −0.4 (4) |
Ga1A—C16A—C20A—C19A | 132.7 (3) | Ga1B—C16B—C20B—C19B | 134.3 (3) |
Fe1A—C16A—C20A—C19A | 59.1 (3) | Fe1B—C16B—C20B—C19B | 59.4 (2) |
C17A—C16A—C20A—Fe1A | −60.1 (2) | C17B—C16B—C20B—Fe1B | −59.8 (2) |
Ga1A—C16A—C20A—Fe1A | 73.5 (2) | Ga1B—C16B—C20B—Fe1B | 74.9 (2) |
C17A—Fe1A—C20A—C19A | −81.2 (2) | C22B—Fe1B—C20B—C19B | −154.8 (3) |
C22A—Fe1A—C20A—C19A | −153.1 (3) | C17B—Fe1B—C20B—C19B | −81.0 (2) |
C25A—Fe1A—C20A—C19A | 134.0 (2) | C25B—Fe1B—C20B—C19B | 131.3 (2) |
C16A—Fe1A—C20A—C19A | −121.5 (3) | C21B—Fe1B—C20B—C19B | 174.8 (2) |
C21A—Fe1A—C20A—C19A | 177.3 (2) | C16B—Fe1B—C20B—C19B | −121.0 (3) |
C18A—Fe1A—C20A—C19A | −37.0 (2) | C18B—Fe1B—C20B—C19B | −36.9 (2) |
C23A—Fe1A—C20A—C19A | 71.5 (6) | C24B—Fe1B—C20B—C19B | 93.5 (2) |
C24A—Fe1A—C20A—C19A | 94.4 (3) | C23B—Fe1B—C20B—C19B | 75.4 (8) |
Ga1A—Fe1A—C20A—C19A | −158.1 (2) | Ga1B—Fe1B—C20B—C19B | −159.6 (2) |
C17A—Fe1A—C20A—C16A | 40.3 (2) | C22B—Fe1B—C20B—C16B | −33.8 (4) |
C22A—Fe1A—C20A—C16A | −31.6 (4) | C17B—Fe1B—C20B—C16B | 40.0 (2) |
C25A—Fe1A—C20A—C16A | −104.5 (2) | C25B—Fe1B—C20B—C16B | −107.7 (2) |
C21A—Fe1A—C20A—C16A | −61.3 (2) | C21B—Fe1B—C20B—C16B | −64.2 (2) |
C18A—Fe1A—C20A—C16A | 84.4 (2) | C18B—Fe1B—C20B—C16B | 84.1 (2) |
C23A—Fe1A—C20A—C16A | −167.1 (5) | C19B—Fe1B—C20B—C16B | 121.0 (3) |
C24A—Fe1A—C20A—C16A | −144.1 (2) | C24B—Fe1B—C20B—C16B | −145.5 (2) |
C19A—Fe1A—C20A—C16A | 121.5 (3) | C23B—Fe1B—C20B—C16B | −163.6 (7) |
Ga1A—Fe1A—C20A—C16A | −36.58 (18) | Ga1B—Fe1B—C20B—C16B | −38.55 (17) |
C16A—Ga1A—C21A—C25A | 65.7 (3) | C16B—Ga1B—C21B—C22B | −64.1 (3) |
C7A—Ga1A—C21A—C25A | −152.9 (2) | C7B—Ga1B—C21B—C22B | 77.1 (3) |
N1A—Ga1A—C21A—C25A | −44.2 (3) | N1b—Ga1B—C21B—C22B | −169.6 (2) |
Fe1A—Ga1A—C21A—C25A | 64.6 (2) | Fe1B—Ga1B—C21B—C22B | −65.1 (2) |
C16A—Ga1A—C21A—C22A | −62.0 (3) | C16B—Ga1B—C21B—C25B | 65.4 (3) |
C7A—Ga1A—C21A—C22A | 79.5 (3) | C7B—Ga1B—C21B—C25B | −153.4 (3) |
N1A—Ga1A—C21A—C22A | −171.9 (2) | N1b—Ga1B—C21B—C25B | −40.1 (3) |
Fe1A—Ga1A—C21A—C22A | −63.1 (2) | Fe1B—Ga1B—C21B—C25B | 64.4 (2) |
C16A—Ga1A—C21A—Fe1A | 1.07 (14) | C16B—Ga1B—C21B—Fe1B | 1.02 (14) |
C7A—Ga1A—C21A—Fe1A | 142.53 (13) | C7B—Ga1B—C21B—Fe1B | 142.22 (13) |
N1A—Ga1A—C21A—Fe1A | −108.82 (12) | N1b—Ga1B—C21B—Fe1B | −104.47 (12) |
C17A—Fe1A—C21A—C25A | −159.6 (2) | C17B—Fe1B—C21B—C22B | 81.4 (2) |
C22A—Fe1A—C21A—C25A | 115.3 (3) | C25B—Fe1B—C21B—C22B | −115.7 (3) |
C16A—Fe1A—C21A—C25A | −121.0 (2) | C20B—Fe1B—C21B—C22B | 155.9 (2) |
C20A—Fe1A—C21A—C25A | −85.5 (2) | C16B—Fe1B—C21B—C22B | 119.1 (2) |
C18A—Fe1A—C21A—C25A | −173.4 (3) | C18B—Fe1B—C21B—C22B | 70.6 (4) |
C23A—Fe1A—C21A—C25A | 79.0 (2) | C19B—Fe1B—C21B—C22B | 163.3 (3) |
C24A—Fe1A—C21A—C25A | 36.2 (2) | C24B—Fe1B—C21B—C22B | −79.2 (2) |
C19A—Fe1A—C21A—C25A | −81.3 (4) | C23B—Fe1B—C21B—C22B | −36.3 (2) |
Ga1A—Fe1A—C21A—C25A | −119.9 (2) | Ga1B—Fe1B—C21B—C22B | 120.1 (2) |
C17A—Fe1A—C21A—C22A | 85.1 (2) | C22B—Fe1B—C21B—C25B | 115.7 (3) |
C25A—Fe1A—C21A—C22A | −115.3 (3) | C17B—Fe1B—C21B—C25B | −162.9 (2) |
C16A—Fe1A—C21A—C22A | 123.7 (2) | C20B—Fe1B—C21B—C25B | −88.5 (2) |
C20A—Fe1A—C21A—C22A | 159.2 (2) | C16B—Fe1B—C21B—C25B | −125.3 (2) |
C18A—Fe1A—C21A—C22A | 71.2 (4) | C18B—Fe1B—C21B—C25B | −173.8 (3) |
C23A—Fe1A—C21A—C22A | −36.3 (2) | C19B—Fe1B—C21B—C25B | −81.0 (3) |
C24A—Fe1A—C21A—C22A | −79.1 (2) | C24B—Fe1B—C21B—C25B | 36.5 (2) |
C19A—Fe1A—C21A—C22A | 163.4 (3) | C23B—Fe1B—C21B—C25B | 79.3 (2) |
Ga1A—Fe1A—C21A—C22A | 124.7 (2) | Ga1B—Fe1B—C21B—C25B | −124.3 (2) |
C17A—Fe1A—C21A—Ga1A | −39.65 (17) | C22B—Fe1B—C21B—Ga1B | −120.1 (2) |
C22A—Fe1A—C21A—Ga1A | −124.7 (2) | C17B—Fe1B—C21B—Ga1B | −38.62 (18) |
C25A—Fe1A—C21A—Ga1A | 119.9 (2) | C25B—Fe1B—C21B—Ga1B | 124.3 (2) |
C16A—Fe1A—C21A—Ga1A | −1.06 (14) | C20B—Fe1B—C21B—Ga1B | 35.82 (17) |
C20A—Fe1A—C21A—Ga1A | 34.42 (18) | C16B—Fe1B—C21B—Ga1B | −1.01 (14) |
C18A—Fe1A—C21A—Ga1A | −53.5 (3) | C18B—Fe1B—C21B—Ga1B | −49.5 (4) |
C23A—Fe1A—C21A—Ga1A | −161.04 (17) | C19B—Fe1B—C21B—Ga1B | 43.3 (3) |
C24A—Fe1A—C21A—Ga1A | 156.17 (17) | C24B—Fe1B—C21B—Ga1B | 160.77 (17) |
C19A—Fe1A—C21A—Ga1A | 38.7 (4) | C23B—Fe1B—C21B—Ga1B | −156.39 (17) |
C25A—C21A—C22A—C23A | −0.7 (4) | C25B—C21B—C22B—C23B | −0.2 (4) |
Ga1A—C21A—C22A—C23A | 132.6 (3) | Ga1B—C21B—C22B—C23B | 136.8 (3) |
Fe1A—C21A—C22A—C23A | 59.3 (2) | Fe1B—C21B—C22B—C23B | 60.2 (3) |
C25A—C21A—C22A—Fe1A | −60.0 (2) | C25B—C21B—C22B—Fe1B | −60.4 (2) |
Ga1A—C21A—C22A—Fe1A | 73.3 (2) | Ga1B—C21B—C22B—Fe1B | 76.6 (2) |
C17A—Fe1A—C22A—C23A | 132.3 (2) | C17B—Fe1B—C22B—C23B | 128.7 (2) |
C25A—Fe1A—C22A—C23A | −81.2 (2) | C25B—Fe1B—C22B—C23B | −81.3 (2) |
C16A—Fe1A—C22A—C23A | 174.2 (2) | C20B—Fe1B—C22B—C23B | −166.3 (3) |
C20A—Fe1A—C22A—C23A | −163.7 (3) | C21B—Fe1B—C22B—C23B | −121.3 (3) |
C21A—Fe1A—C22A—C23A | −121.3 (3) | C16B—Fe1B—C22B—C23B | 170.6 (2) |
C18A—Fe1A—C22A—C23A | 94.2 (2) | C18B—Fe1B—C22B—C23B | 92.1 (2) |
C24A—Fe1A—C22A—C23A | −37.1 (2) | C19B—Fe1B—C22B—C23B | 85.4 (5) |
C19A—Fe1A—C22A—C23A | 80.0 (5) | C24B—Fe1B—C22B—C23B | −37.5 (2) |
Ga1A—Fe1A—C22A—C23A | −158.7 (2) | Ga1B—Fe1B—C22B—C23B | −161.5 (2) |
C17A—Fe1A—C22A—C21A | −106.3 (2) | C17B—Fe1B—C22B—C21B | −110.0 (2) |
C25A—Fe1A—C22A—C21A | 40.13 (19) | C25B—Fe1B—C22B—C21B | 40.01 (19) |
C16A—Fe1A—C22A—C21A | −64.5 (2) | C20B—Fe1B—C22B—C21B | −45.0 (3) |
C20A—Fe1A—C22A—C21A | −42.4 (4) | C16B—Fe1B—C22B—C21B | −68.1 (2) |
C18A—Fe1A—C22A—C21A | −144.5 (2) | C18B—Fe1B—C22B—C21B | −146.6 (2) |
C23A—Fe1A—C22A—C21A | 121.3 (3) | C19B—Fe1B—C22B—C21B | −153.3 (4) |
C24A—Fe1A—C22A—C21A | 84.3 (2) | C24B—Fe1B—C22B—C21B | 83.8 (2) |
C19A—Fe1A—C22A—C21A | −158.6 (4) | C23B—Fe1B—C22B—C21B | 121.3 (3) |
Ga1A—Fe1A—C22A—C21A | −37.43 (17) | Ga1B—Fe1B—C22B—C21B | −40.19 (17) |
C21A—C22A—C23A—C24A | 0.4 (4) | C21B—C22B—C23B—C24B | 0.0 (4) |
Fe1A—C22A—C23A—C24A | 59.1 (2) | Fe1B—C22B—C23B—C24B | 59.1 (3) |
C21A—C22A—C23A—Fe1A | −58.7 (2) | C21B—C22B—C23B—Fe1B | −59.1 (2) |
C17A—Fe1A—C23A—C24A | 177.8 (2) | C22B—Fe1B—C23B—C24B | −118.9 (3) |
C22A—Fe1A—C23A—C24A | −119.8 (3) | C17B—Fe1B—C23B—C24B | 176.0 (2) |
C25A—Fe1A—C23A—C24A | −38.0 (2) | C25B—Fe1B—C23B—C24B | −37.3 (2) |
C16A—Fe1A—C23A—C24A | −131.7 (3) | C20B—Fe1B—C23B—C24B | 22.1 (8) |
C20A—Fe1A—C23A—C24A | 29.2 (6) | C21B—Fe1B—C23B—C24B | −81.8 (2) |
C21A—Fe1A—C23A—C24A | −82.5 (2) | C16B—Fe1B—C23B—C24B | −136.4 (3) |
C18A—Fe1A—C23A—C24A | 131.2 (2) | C18B—Fe1B—C23B—C24B | 129.5 (2) |
C19A—Fe1A—C23A—C24A | 86.4 (3) | C19B—Fe1B—C23B—C24B | 85.6 (3) |
Ga1A—Fe1A—C23A—C24A | −97.2 (2) | Ga1B—Fe1B—C23B—C24B | −99.75 (19) |
C17A—Fe1A—C23A—C22A | −62.4 (3) | C17B—Fe1B—C23B—C22B | −65.1 (3) |
C25A—Fe1A—C23A—C22A | 81.8 (2) | C25B—Fe1B—C23B—C22B | 81.6 (2) |
C16A—Fe1A—C23A—C22A | −11.9 (4) | C20B—Fe1B—C23B—C22B | 140.9 (7) |
C20A—Fe1A—C23A—C22A | 149.0 (5) | C21B—Fe1B—C23B—C22B | 37.1 (2) |
C21A—Fe1A—C23A—C22A | 37.3 (2) | C16B—Fe1B—C23B—C22B | −17.5 (4) |
C18A—Fe1A—C23A—C22A | −109.0 (2) | C18B—Fe1B—C23B—C22B | −111.7 (2) |
C24A—Fe1A—C23A—C22A | 119.8 (3) | C19B—Fe1B—C23B—C22B | −155.6 (2) |
C19A—Fe1A—C23A—C22A | −153.9 (2) | C24B—Fe1B—C23B—C22B | 118.9 (3) |
Ga1A—Fe1A—C23A—C22A | 22.5 (2) | Ga1B—Fe1B—C23B—C22B | 19.1 (2) |
C22A—C23A—C24A—C25A | 0.2 (4) | C22B—C23B—C24B—C25B | 0.2 (4) |
Fe1A—C23A—C24A—C25A | 58.4 (2) | Fe1B—C23B—C24B—C25B | 58.1 (2) |
C22A—C23A—C24A—Fe1A | −58.2 (2) | C22B—C23B—C24B—Fe1B | −57.9 (2) |
C17A—Fe1A—C24A—C23A | −6.9 (6) | C22B—Fe1B—C24B—C25B | −82.0 (2) |
C22A—Fe1A—C24A—C23A | 37.5 (2) | C17B—Fe1B—C24B—C25B | −130.9 (4) |
C25A—Fe1A—C24A—C23A | 119.1 (3) | C20B—Fe1B—C24B—C25B | 65.6 (3) |
C16A—Fe1A—C24A—C23A | 135.6 (3) | C21B—Fe1B—C24B—C25B | −37.4 (2) |
C20A—Fe1A—C24A—C23A | −170.9 (2) | C16B—Fe1B—C24B—C25B | 7.4 (4) |
C21A—Fe1A—C24A—C23A | 82.4 (2) | C18B—Fe1B—C24B—C25B | 162.8 (2) |
C18A—Fe1A—C24A—C23A | −75.9 (3) | C19B—Fe1B—C24B—C25B | 114.5 (2) |
C19A—Fe1A—C24A—C23A | −122.9 (2) | C23B—Fe1B—C24B—C25B | −120.0 (3) |
Ga1A—Fe1A—C24A—C23A | 100.6 (2) | Ga1B—Fe1B—C24B—C25B | −22.7 (2) |
C17A—Fe1A—C24A—C25A | −126.1 (5) | C22B—Fe1B—C24B—C23B | 38.0 (2) |
C22A—Fe1A—C24A—C25A | −81.6 (2) | C17B—Fe1B—C24B—C23B | −10.9 (6) |
C16A—Fe1A—C24A—C25A | 16.5 (4) | C25B—Fe1B—C24B—C23B | 120.0 (3) |
C20A—Fe1A—C24A—C25A | 69.9 (2) | C20B—Fe1B—C24B—C23B | −174.4 (2) |
C21A—Fe1A—C24A—C25A | −36.8 (2) | C21B—Fe1B—C24B—C23B | 82.6 (2) |
C18A—Fe1A—C24A—C25A | 165.0 (2) | C16B—Fe1B—C24B—C23B | 127.4 (3) |
C23A—Fe1A—C24A—C25A | −119.1 (3) | C18B—Fe1B—C24B—C23B | −77.2 (3) |
C19A—Fe1A—C24A—C25A | 118.0 (2) | C19B—Fe1B—C24B—C23B | −125.5 (2) |
Ga1A—Fe1A—C24A—C25A | −18.5 (2) | Ga1B—Fe1B—C24B—C23B | 97.3 (2) |
C23A—C24A—C25A—C21A | −0.7 (4) | C23B—C24B—C25B—C21B | −0.4 (4) |
Fe1A—C24A—C25A—C21A | 58.6 (2) | Fe1B—C24B—C25B—C21B | 58.8 (2) |
C23A—C24A—C25A—Fe1A | −59.3 (2) | C23B—C24B—C25B—Fe1B | −59.2 (3) |
C22A—C21A—C25A—C24A | 0.9 (4) | C22B—C21B—C25B—C24B | 0.4 (4) |
Ga1A—C21A—C25A—C24A | −134.9 (3) | Ga1B—C21B—C25B—C24B | −134.5 (3) |
Fe1A—C21A—C25A—C24A | −59.0 (2) | Fe1B—C21B—C25B—C24B | −59.8 (2) |
C22A—C21A—C25A—Fe1A | 59.9 (2) | C22B—C21B—C25B—Fe1B | 60.2 (2) |
Ga1A—C21A—C25A—Fe1A | −75.82 (19) | Ga1B—C21B—C25B—Fe1B | −74.7 (2) |
C17A—Fe1A—C25A—C24A | 158.0 (3) | C22B—Fe1B—C25B—C24B | 80.8 (2) |
C22A—Fe1A—C25A—C24A | 81.3 (2) | C17B—Fe1B—C25B—C24B | 152.9 (3) |
C16A—Fe1A—C25A—C24A | −171.6 (2) | C20B—Fe1B—C25B—C24B | −132.7 (2) |
C20A—Fe1A—C25A—C24A | −128.2 (2) | C21B—Fe1B—C25B—C24B | 120.8 (3) |
C21A—Fe1A—C25A—C24A | 121.7 (3) | C16B—Fe1B—C25B—C24B | −176.4 (2) |
C18A—Fe1A—C25A—C24A | −77.1 (9) | C18B—Fe1B—C25B—C24B | −73.2 (7) |
C23A—Fe1A—C25A—C24A | 37.4 (2) | C19B—Fe1B—C25B—C24B | −94.3 (3) |
C19A—Fe1A—C25A—C24A | −90.8 (3) | C23B—Fe1B—C25B—C24B | 36.9 (2) |
Ga1A—Fe1A—C25A—C24A | 162.1 (2) | Ga1B—Fe1B—C25B—C24B | 158.4 (2) |
C17A—Fe1A—C25A—C21A | 36.3 (4) | C22B—Fe1B—C25B—C21B | −40.0 (2) |
C22A—Fe1A—C25A—C21A | −40.4 (2) | C17B—Fe1B—C25B—C21B | 32.2 (4) |
C16A—Fe1A—C25A—C21A | 66.7 (2) | C20B—Fe1B—C25B—C21B | 106.5 (2) |
C20A—Fe1A—C25A—C21A | 110.0 (2) | C16B—Fe1B—C25B—C21B | 62.8 (2) |
C18A—Fe1A—C25A—C21A | 161.2 (8) | C18B—Fe1B—C25B—C21B | 166.0 (6) |
C23A—Fe1A—C25A—C21A | −84.4 (2) | C19B—Fe1B—C25B—C21B | 144.9 (2) |
C24A—Fe1A—C25A—C21A | −121.7 (3) | C24B—Fe1B—C25B—C21B | −120.8 (3) |
C19A—Fe1A—C25A—C21A | 147.5 (2) | C23B—Fe1B—C25B—C21B | −83.8 (2) |
Ga1A—Fe1A—C25A—C21A | 40.39 (17) | Ga1B—Fe1B—C25B—C21B | 37.64 (17) |
Experimental details
Crystal data | |
Chemical formula | [GaFe(C5H4)2(C14H28NSi3)] |
Mr | 548.38 |
Crystal system, space group | Monoclinic, P21/c |
Temperature (K) | 173 |
a, b, c (Å) | 9.6463 (1), 35.2258 (4), 15.4862 (2) |
β (°) | 92.5212 (7) |
V (Å3) | 5257.10 (11) |
Z | 8 |
Radiation type | Mo Kα |
µ (mm−1) | 1.73 |
Crystal size (mm) | 0.20 × 0.12 × 0.12 |
Data collection | |
Diffractometer | Nonius KappaCCD diffractometer |
Absorption correction | ψ scan (SHELXTL; Sheldrick, 2008) |
Tmin, Tmax | 0.692, 0.811 |
No. of measured, independent and observed [I > 2σ(I)] reflections | 58270, 10370, 7767 |
Rint | 0.079 |
(sin θ/λ)max (Å−1) | 0.620 |
Refinement | |
R[F2 > 2σ(F2)], wR(F2), S | 0.043, 0.088, 1.04 |
No. of reflections | 10370 |
No. of parameters | 557 |
H-atom treatment | H-atom parameters constrained |
Δρmax, Δρmin (e Å−3) | 0.36, −0.46 |
Computer programs: COLLECT (Nonius, 1998), SCALEPACK (Otwinowski & Minor, 1997), SCALEPACK and DENZO (Otwinowski & Minor, 1997), SIR97 (Altomare et al., 1999), ORTEP-3 for Windows (Farrugia, 1997), SHELXL97 (Sheldrick, 2008) and PLATON (Spek, 2003).
Acknowledgements
We thank the Natural Sciences and Engineering Research Council of Canada (NSERC Discovery Grant for JM), the Department of Chemistry and the University of Saskatchewan for their generous support. The authors also thank the Canadian Foundation for Innovation and the Government of Saskatchewan for funding of the X-ray and NMR facilities.
References
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This is an open-access article distributed under the terms of the Creative Commons Attribution (CC-BY) Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.
After the first report of the synthesis of a [1]ferrocenophane by Osborne and Whiteley in 1975 (Osborne et al., 1975), Manners and coworkers discovered that thermal ring-opening polymerization (ROP) of dimethylsila[1]ferrocenophane yield high-molecular weight polymers (Foucher et al., 1992). This discovery was a breakthrough in the area of organometallic polymers. Recently, the field of strained sandwich compounds was reviewed by Manners (Herbert et al., 2007) and Rehahn (Bellas et al., 2007).
Over the last four years, we characterized aluminium- and gallium-bridged [1]ferrocenophanes (Schachner et al., 2005a, b), (Lund et al., 2006), [1]chromarenophanes (Lund et al., 2006), [1]vanadarenophanes (Lund et al., 2006), [1]ruthenocenophanes (Schachner et al., 2007), and [1]molybdarenophanes (Lund et al., 2007).
We published the synthesis and characterization of the first strained sandwich compound with gallium in the bridging position in 2005 (Schachner et al., 2005b) (Scheme 1). However, details of the molecular structure of the title compound could not be extracted from the single-crystal X-ray analysis; only the molecular framework was revealed with certainty from the analysis (Schachner et al., 2005b). After several attempts, we succeeded in growing single crystals of high quality that allowed a complete structural solution of the compound. The galla[1]ferrocenophane crystallizes in the monoclinic space group P21/c with two independent molecules in the asymmetric unit. Figure 1 depicts the two independent species. In both molecules the bond lengths around the bridging Ga atoms are very similar (Ga1a—C16a = 2.018 (3); Ga1b—C16b = 2.026 (3); Ga1a—C21a = 2.023 (3); Ga1b—C21b = 2.023 (3); Ga1a—N1a = 2.084 (3); Ga1b—N1b = 2.050 (3); Ga1a—C7a = 2.043 (3); Ga1b—C7b = 2.038 (3) Å). [1]Metallacyclophanes can only be ring-open polymerized because they are intrinsically strained. The so-called α angle in strained sandwich compounds is defined as the angle between the two planes of two π-ligands. The angle between the two least squares planes of C16 - C20 and C21 - C25 are 15.4 (2)° for molecule (Ia) and 16.4 (2)° for molecule (Ib). Both values compare well with the value of the 15.83 (19)° found for the only other known galla[1]ferrocenophane (Lund et al., 2006).