metal-organic compounds
The nickel(0) complex [Ni(dppb)2]·2.5C6H6 [dppb = Ph2P(CH2)4PPh2 or C28H28P2] was obtained from reaction of the boronic ester nickel(II) complex [NiBr{C6H4B(O2C2Me4)}(dppb)] with KOtBu. The nickel metal centre is in a tetrahedral environment characteristic of NiP4 species. Each asymmetric unit contains 2.5 disordered molecules of benzene and satisfactory refinement was achieved after removal of the solvent void contribution from the data. A mixed anisotropic/isotropic model was used for the non-H-atom sites.
Supporting information
Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536802011121/ob6135sup1.cif | |
Structure factor file (CIF format) https://doi.org/10.1107/S1600536802011121/ob6135IIsup2.hkl |
CCDC reference: 189879
Computing details top
Data collection: COLLECT (Nonius, 2001); cell refinement: HKL SCALEPACK (Otwinowski & Minor, 1997); data reduction: DENZO and SCALEPACK (Otwinowski & Minor, 1997); program(s) used to solve structure: SIR97 (Altomare et al., 1999); program(s) used to refine structure: CRYSTALS (Watkin et al., 2001); molecular graphics: CAMERON (Watkin et al., 1996); software used to prepare material for publication: CRYSTALS and maXus (Mackay et al., 1999).
(II) top
Crystal data top
[Ni(C28H28P2)2]·2.5C6H6 | F(000) = 2339 |
Mr = 1106.96 | Dx = 1.242 Mg m−3 |
Monoclinic, P21/a | Mo Kα radiation, λ = 0.71073 Å |
Hall symbol: -P 2yab | Cell parameters from 37457 reflections |
a = 19.9938 (5) Å | θ = 2.9–25.4° |
b = 11.7063 (4) Å | µ = 0.48 mm−1 |
c = 27.1914 (9) Å | T = 200 K |
β = 111.5142 (13)° | Plate, yellow |
V = 5920.8 (3) Å3 | 0.29 × 0.28 × 0.02 mm |
Z = 4 |
Data collection top
Nonius KappaCCD diffractometer | 2785 reflections with I > 2σ(I) |
Radiation source: fine-focus sealed tube | Rint = 0.087 |
φ and ω scans | θmax = 25.4°, θmin = 3.0° |
Absorption correction: integration (Coppens, 1970) | h = −23→24 |
Tmin = 0.880, Tmax = 0.991 | k = −13→14 |
65297 measured reflections | l = −32→32 |
10780 independent reflections |
Refinement top
Refinement on F | Secondary atom site location: difference Fourier map |
Least-squares matrix: full | Hydrogen site location: inferred from neighbouring sites |
R[F2 > 2σ(F2)] = 0.059 | H-atom parameters constrained |
wR(F2) = 0.065 | Weighting scheme: Chebychev polynomial with three parameters (Carruthers & Watkin, 1979); 11.3, -0.949 and 5.26 |
S = 1.03 | (Δ/σ)max = 0.001 |
2785 reflections | Δρmax = 0.44 e Å−3 |
310 parameters | Δρmin = −0.32 e Å−3 |
Primary atom site location: structure-invariant direct methods |
Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top
x | y | z | Uiso*/Ueq | ||
Ni1 | 0.24159 (8) | 0.2071 (1) | 0.30250 (7) | 0.0392 | |
P1 | 0.26602 (14) | 0.3041 (3) | 0.24149 (11) | 0.0416 | |
P2 | 0.33412 (14) | 0.0916 (2) | 0.33813 (12) | 0.0410 | |
P3 | 0.15175 (14) | 0.0873 (2) | 0.26600 (11) | 0.0437 | |
P4 | 0.21486 (14) | 0.2950 (3) | 0.36448 (12) | 0.0425 | |
C1 | 0.1970 (6) | 0.3496 (9) | 0.1767 (4) | 0.049 (3)* | |
C2 | 0.1588 (6) | 0.451 (1) | 0.1727 (5) | 0.057 (3)* | |
C3 | 0.1046 (7) | 0.4824 (12) | 0.1280 (5) | 0.074 (4)* | |
C4 | 0.0870 (7) | 0.4138 (11) | 0.0841 (5) | 0.073 (4)* | |
C5 | 0.1247 (6) | 0.3151 (11) | 0.0850 (5) | 0.072 (4)* | |
C6 | 0.1803 (6) | 0.285 (1) | 0.1315 (4) | 0.056 (3)* | |
C7 | 0.3160 (5) | 0.4419 (9) | 0.2581 (4) | 0.047 (3)* | |
C8 | 0.3394 (6) | 0.482 (1) | 0.3080 (5) | 0.054 (3)* | |
C9 | 0.3812 (7) | 0.5821 (11) | 0.3226 (5) | 0.071 (4)* | |
C10 | 0.3972 (7) | 0.6372 (12) | 0.2846 (6) | 0.080 (4)* | |
C11 | 0.3745 (7) | 0.6027 (11) | 0.2346 (5) | 0.075 (4)* | |
C12 | 0.3335 (6) | 0.502 (1) | 0.2195 (5) | 0.061 (3)* | |
C13 | 0.3310 (5) | 0.2266 (9) | 0.2187 (4) | 0.0445 | |
C14 | 0.4052 (5) | 0.2166 (9) | 0.2629 (4) | 0.0452 | |
C15 | 0.4279 (6) | 0.0936 (9) | 0.2796 (5) | 0.0522 | |
C16 | 0.3752 (5) | 0.0209 (9) | 0.2949 (4) | 0.0469 | |
C17 | 0.3130 (5) | −0.0360 (9) | 0.3711 (4) | 0.041 (3)* | |
C18 | 0.3005 (5) | −0.016 (1) | 0.4173 (4) | 0.051 (3)* | |
C19 | 0.2783 (5) | −0.1006 (9) | 0.4424 (4) | 0.049 (3)* | |
C20 | 0.2689 (6) | −0.2122 (11) | 0.4211 (4) | 0.060 (3)* | |
C21 | 0.2823 (6) | −0.233 (1) | 0.3759 (4) | 0.059 (3)* | |
C22 | 0.3056 (6) | −0.1450 (9) | 0.3520 (4) | 0.052 (3)* | |
C23 | 0.4170 (5) | 0.1363 (8) | 0.3928 (4) | 0.036 (2)* | |
C24 | 0.4665 (6) | 0.057 (1) | 0.4218 (4) | 0.055 (3)* | |
C25 | 0.5299 (7) | 0.0923 (11) | 0.4636 (5) | 0.072 (4)* | |
C26 | 0.5413 (6) | 0.2061 (11) | 0.4758 (5) | 0.063 (3)* | |
C27 | 0.4904 (6) | 0.2855 (11) | 0.4469 (4) | 0.061 (3)* | |
C28 | 0.4284 (6) | 0.2500 (9) | 0.4048 (4) | 0.049 (3)* | |
C29 | 0.0655 (6) | 0.1355 (9) | 0.2145 (4) | 0.048 (3)* | |
C30 | 0.0534 (6) | 0.247 (1) | 0.2021 (5) | 0.054 (3)* | |
C31 | −0.0113 (6) | 0.2848 (12) | 0.1635 (5) | 0.070 (3)* | |
C32 | −0.0620 (6) | 0.2046 (11) | 0.1368 (5) | 0.067 (3)* | |
C33 | −0.0505 (7) | 0.0933 (11) | 0.1487 (5) | 0.068 (3)* | |
C34 | 0.0135 (6) | 0.0537 (11) | 0.1874 (4) | 0.060 (3)* | |
C35 | 0.1723 (6) | −0.029 (1) | 0.2281 (4) | 0.051 (3)* | |
C36 | 0.1861 (6) | −0.002 (1) | 0.1832 (4) | 0.056 (3)* | |
C37 | 0.2100 (6) | −0.0838 (11) | 0.1556 (5) | 0.070 (4)* | |
C38 | 0.2166 (7) | −0.1931 (12) | 0.1713 (5) | 0.077 (4)* | |
C39 | 0.2031 (7) | −0.2261 (12) | 0.2147 (5) | 0.078 (4)* | |
C40 | 0.1795 (6) | −0.144 (1) | 0.2431 (5) | 0.063 (3)* | |
C41 | 0.1161 (5) | 0.0035 (9) | 0.3100 (4) | 0.0445 | |
C42 | 0.0627 (5) | 0.0684 (9) | 0.3290 (5) | 0.0556 | |
C43 | 0.0814 (5) | 0.1904 (9) | 0.3461 (4) | 0.0476 | |
C44 | 0.1576 (5) | 0.208 (1) | 0.3898 (4) | 0.0523 | |
C45 | 0.1612 (6) | 0.4271 (9) | 0.3480 (4) | 0.048 (3)* | |
C46 | 0.1496 (6) | 0.481 (1) | 0.3015 (5) | 0.057 (3)* | |
C47 | 0.1106 (6) | 0.5809 (11) | 0.2886 (5) | 0.071 (4)* | |
C48 | 0.0817 (7) | 0.6314 (12) | 0.3224 (5) | 0.073 (4)* | |
C49 | 0.0919 (6) | 0.578 (1) | 0.3675 (5) | 0.067 (3)* | |
C50 | 0.1301 (6) | 0.476 (1) | 0.3814 (5) | 0.063 (3)* | |
C51 | 0.2832 (6) | 0.3450 (9) | 0.4282 (4) | 0.048 (3)* | |
C52 | 0.3109 (6) | 0.454 (1) | 0.4306 (5) | 0.058 (3)* | |
C53 | 0.3661 (7) | 0.4903 (12) | 0.4778 (5) | 0.071 (4)* | |
C54 | 0.3920 (7) | 0.4196 (11) | 0.5208 (5) | 0.070 (4)* | |
C55 | 0.3641 (6) | 0.3162 (11) | 0.5185 (5) | 0.068 (3)* | |
C56 | 0.3098 (6) | 0.277 (1) | 0.4718 (4) | 0.053 (3)* | |
H21 | 0.1718 (6) | 0.502 (1) | 0.2044 (5) | 0.0679* | |
H31 | 0.0779 (7) | 0.5553 (12) | 0.1268 (5) | 0.0891* | |
H41 | 0.0461 (7) | 0.4355 (11) | 0.0511 (5) | 0.0876* | |
H51 | 0.1126 (6) | 0.2662 (11) | 0.0528 (5) | 0.0861* | |
H61 | 0.2086 (6) | 0.214 (1) | 0.1322 (4) | 0.0663* | |
H81 | 0.3271 (6) | 0.440 (1) | 0.3354 (5) | 0.0640* | |
H91 | 0.3986 (7) | 0.6112 (11) | 0.3597 (5) | 0.0836* | |
H101 | 0.4274 (7) | 0.7078 (12) | 0.2947 (6) | 0.0952* | |
H111 | 0.3867 (7) | 0.6478 (11) | 0.2077 (5) | 0.0889* | |
H121 | 0.3169 (6) | 0.473 (1) | 0.1822 (5) | 0.0726* | |
H131 | 0.3360 (5) | 0.2691 (9) | 0.1883 (4) | 0.0561* | |
H132 | 0.3120 (5) | 0.1482 (9) | 0.2069 (4) | 0.0561* | |
H141 | 0.4041 (5) | 0.2593 (9) | 0.2944 (4) | 0.0559* | |
H142 | 0.4416 (5) | 0.2518 (9) | 0.2504 (4) | 0.0559* | |
H151 | 0.4744 (6) | 0.0961 (9) | 0.3106 (5) | 0.0657* | |
H152 | 0.4356 (6) | 0.0548 (9) | 0.2493 (5) | 0.0657* | |
H161 | 0.4017 (5) | −0.0482 (9) | 0.3139 (4) | 0.0548* | |
H162 | 0.3355 (5) | −0.0032 (9) | 0.2617 (4) | 0.0548* | |
H181 | 0.3081 (5) | 0.063 (1) | 0.4327 (4) | 0.0614* | |
H191 | 0.2687 (5) | −0.0839 (9) | 0.4753 (4) | 0.0591* | |
H201 | 0.2525 (6) | −0.2753 (11) | 0.4388 (4) | 0.0721* | |
H211 | 0.2754 (6) | −0.312 (1) | 0.3604 (4) | 0.0699* | |
H221 | 0.3172 (6) | −0.1617 (9) | 0.3199 (4) | 0.0618* | |
H241 | 0.4578 (6) | −0.026 (1) | 0.4133 (4) | 0.0646* | |
H251 | 0.5662 (7) | 0.0343 (11) | 0.4840 (5) | 0.0870* | |
H261 | 0.5858 (6) | 0.2315 (11) | 0.5053 (5) | 0.0761* | |
H271 | 0.4980 (6) | 0.3685 (11) | 0.4560 (4) | 0.0726* | |
H281 | 0.3926 (6) | 0.3079 (9) | 0.3837 (4) | 0.0593* | |
H301 | 0.0913 (6) | 0.304 (1) | 0.2208 (5) | 0.0636* | |
H311 | −0.0205 (6) | 0.3680 (12) | 0.1556 (5) | 0.0845* | |
H321 | −0.1075 (6) | 0.2295 (11) | 0.1082 (5) | 0.0801* | |
H331 | −0.0887 (7) | 0.0369 (11) | 0.1296 (5) | 0.0811* | |
H341 | 0.0218 (6) | −0.0297 (11) | 0.1954 (4) | 0.0733* | |
H361 | 0.1787 (6) | 0.078 (1) | 0.1700 (4) | 0.0684* | |
H371 | 0.2218 (6) | −0.0605 (11) | 0.1243 (5) | 0.0838* | |
H381 | 0.2321 (7) | −0.2514 (12) | 0.1508 (5) | 0.0923* | |
H391 | 0.2098 (7) | −0.3077 (12) | 0.2265 (5) | 0.0940* | |
H401 | 0.1677 (6) | −0.168 (1) | 0.2742 (5) | 0.0767* | |
H411 | 0.1578 (5) | −0.0209 (9) | 0.3419 (4) | 0.0541* | |
H412 | 0.0910 (5) | −0.0656 (9) | 0.2900 (4) | 0.0541* | |
H421 | 0.0587 (5) | 0.0254 (9) | 0.3595 (5) | 0.0649* | |
H422 | 0.0150 (5) | 0.0689 (9) | 0.2992 (5) | 0.0649* | |
H431 | 0.0449 (5) | 0.2196 (9) | 0.3602 (4) | 0.0578* | |
H432 | 0.0790 (5) | 0.2361 (9) | 0.3145 (4) | 0.0578* | |
H441 | 0.1523 (5) | 0.248 (1) | 0.4207 (4) | 0.0623* | |
H442 | 0.1807 (5) | 0.132 (1) | 0.4013 (4) | 0.0623* | |
H461 | 0.1698 (6) | 0.447 (1) | 0.2761 (5) | 0.0680* | |
H471 | 0.1030 (6) | 0.6178 (11) | 0.2538 (5) | 0.0870* | |
H481 | 0.0543 (7) | 0.7048 (12) | 0.3132 (5) | 0.0879* | |
H491 | 0.0715 (6) | 0.613 (1) | 0.3926 (5) | 0.0800* | |
H501 | 0.1353 (6) | 0.437 (1) | 0.4154 (5) | 0.0755* | |
H521 | 0.2922 (6) | 0.506 (1) | 0.3994 (5) | 0.0706* | |
H531 | 0.3864 (7) | 0.5690 (12) | 0.4798 (5) | 0.0851* | |
H541 | 0.4317 (7) | 0.4458 (11) | 0.5536 (5) | 0.0825* | |
H551 | 0.3817 (6) | 0.2656 (11) | 0.5503 (5) | 0.0817* | |
H561 | 0.2903 (6) | 0.198 (1) | 0.4707 (4) | 0.0631* |
Atomic displacement parameters (Å2) top
U11 | U22 | U33 | U12 | U13 | U23 | |
Ni1 | 0.0313 (6) | 0.0361 (6) | 0.0521 (8) | −0.0007 (8) | 0.0173 (6) | 0.001 (1) |
P1 | 0.0355 (15) | 0.0432 (16) | 0.0472 (17) | 0.0010 (15) | 0.0165 (14) | 0.0030 (16) |
P2 | 0.0314 (16) | 0.0373 (16) | 0.054 (2) | 0.0008 (13) | 0.0159 (14) | 0.0011 (15) |
P3 | 0.0348 (17) | 0.0440 (17) | 0.0493 (19) | −0.0025 (14) | 0.0119 (15) | −0.0010 (15) |
P4 | 0.0375 (16) | 0.0406 (16) | 0.0502 (18) | 0.0005 (15) | 0.0172 (14) | −0.0021 (17) |
C13 | 0.038 (6) | 0.040 (7) | 0.062 (7) | 0.006 (5) | 0.027 (5) | 0.008 (5) |
C14 | 0.031 (6) | 0.057 (7) | 0.051 (7) | −0.001 (5) | 0.020 (5) | 0.005 (6) |
C15 | 0.050 (7) | 0.051 (7) | 0.064 (8) | −0.006 (6) | 0.030 (6) | −0.003 (6) |
C16 | 0.042 (6) | 0.042 (6) | 0.056 (7) | 0.012 (5) | 0.016 (6) | 0.001 (5) |
C41 | 0.031 (6) | 0.049 (7) | 0.054 (7) | −0.002 (5) | 0.015 (5) | 0.001 (6) |
C42 | 0.036 (6) | 0.063 (8) | 0.064 (8) | −0.010 (5) | 0.014 (6) | 0.001 (6) |
C43 | 0.032 (6) | 0.055 (7) | 0.056 (7) | 0.003 (5) | 0.016 (5) | −0.005 (6) |
C44 | 0.041 (6) | 0.058 (7) | 0.060 (7) | 0.010 (6) | 0.021 (6) | −0.000 (7) |
Geometric parameters (Å, º) top
Ni1—P1 | 2.208 (3) | C17—C22 | 1.365 (13) |
Ni1—P2 | 2.208 (3) | C18—C19 | 1.367 (14) |
Ni1—P3 | 2.207 (3) | C19—C20 | 1.413 (15) |
Ni1—P4 | 2.201 (4) | C20—C21 | 1.374 (15) |
P1—C13 | 1.868 (9) | C21—C22 | 1.390 (14) |
P1—C1 | 1.873 (11) | C23—C24 | 1.376 (13) |
P1—C7 | 1.864 (11) | C23—C28 | 1.370 (13) |
P2—C16 | 1.86 (1) | C24—C25 | 1.419 (15) |
P2—C17 | 1.87 (1) | C25—C26 | 1.372 (16) |
P2—C23 | 1.85 (1) | C26—C27 | 1.389 (15) |
P3—C41 | 1.88 (1) | C27—C28 | 1.407 (15) |
P3—C29 | 1.865 (11) | C29—C30 | 1.349 (14) |
P3—C35 | 1.845 (11) | C29—C34 | 1.407 (14) |
P4—C44 | 1.845 (11) | C30—C31 | 1.406 (15) |
P4—C45 | 1.841 (11) | C31—C32 | 1.377 (16) |
P4—C51 | 1.865 (11) | C32—C33 | 1.342 (16) |
C13—C14 | 1.533 (13) | C33—C34 | 1.405 (15) |
C14—C15 | 1.528 (14) | C35—C36 | 1.385 (14) |
C15—C16 | 1.526 (13) | C35—C40 | 1.389 (15) |
C41—C42 | 1.545 (14) | C36—C37 | 1.403 (15) |
C42—C43 | 1.506 (14) | C37—C38 | 1.340 (17) |
C43—C44 | 1.563 (13) | C38—C39 | 1.360 (16) |
C1—C2 | 1.390 (14) | C39—C40 | 1.421 (16) |
C1—C6 | 1.377 (14) | C45—C46 | 1.354 (14) |
C2—C3 | 1.352 (15) | C45—C50 | 1.396 (14) |
C3—C4 | 1.373 (16) | C46—C47 | 1.382 (15) |
C4—C5 | 1.375 (16) | C47—C48 | 1.387 (15) |
C5—C6 | 1.388 (15) | C48—C49 | 1.321 (15) |
C7—C8 | 1.347 (14) | C49—C50 | 1.396 (16) |
C7—C12 | 1.408 (14) | C51—C52 | 1.382 (15) |
C8—C9 | 1.409 (15) | C51—C56 | 1.365 (14) |
C9—C10 | 1.352 (16) | C52—C53 | 1.418 (15) |
C10—C11 | 1.330 (16) | C53—C54 | 1.369 (16) |
C11—C12 | 1.412 (16) | C54—C55 | 1.324 (16) |
C17—C18 | 1.387 (14) | C55—C56 | 1.411 (15) |
P1—Ni1—P2 | 105.31 (13) | C9—C10—C11 | 123.3 (14) |
P1—Ni1—P3 | 110.90 (14) | C10—C11—C12 | 119.7 (13) |
P2—Ni1—P3 | 102.76 (9) | C7—C12—C11 | 118.5 (11) |
P1—Ni1—P4 | 121.2 (1) | P2—C17—C18 | 116.6 (8) |
P2—Ni1—P4 | 110.48 (14) | P2—C17—C22 | 125.3 (8) |
P3—Ni1—P4 | 104.79 (13) | C18—C17—C22 | 118.0 (10) |
Ni1—P1—C13 | 111.9 (3) | C17—C18—C19 | 122.1 (11) |
Ni1—P1—C1 | 124.3 (3) | C18—C19—C20 | 118.9 (10) |
C13—P1—C1 | 100.8 (5) | C19—C20—C21 | 119.5 (11) |
Ni1—P1—C7 | 120.7 (4) | C20—C21—C22 | 119.6 (11) |
C13—P1—C7 | 97.1 (5) | C17—C22—C21 | 121.7 (10) |
C1—P1—C7 | 97.2 (5) | P2—C23—C24 | 120.9 (8) |
Ni1—P2—C16 | 119.3 (4) | P2—C23—C28 | 119.2 (8) |
Ni1—P2—C17 | 113.6 (3) | C24—C23—C28 | 119.8 (10) |
C16—P2—C17 | 100.2 (5) | C23—C24—C25 | 120.4 (11) |
Ni1—P2—C23 | 122.6 (3) | C24—C25—C26 | 119.8 (12) |
C16—P2—C23 | 99.3 (4) | C25—C26—C27 | 119.4 (12) |
C17—P2—C23 | 97.7 (4) | C26—C27—C28 | 120.4 (11) |
Ni1—P3—C41 | 118.8 (4) | C23—C28—C27 | 120.1 (11) |
Ni1—P3—C29 | 121.4 (4) | P3—C29—C30 | 120.8 (9) |
C41—P3—C29 | 100.0 (5) | P3—C29—C34 | 119.3 (8) |
Ni1—P3—C35 | 114.3 (4) | C30—C29—C34 | 119.9 (11) |
C41—P3—C35 | 100.5 (5) | C29—C30—C31 | 121.5 (12) |
C29—P3—C35 | 98.0 (5) | C30—C31—C32 | 118.6 (12) |
Ni1—P4—C44 | 112.7 (4) | C31—C32—C33 | 120.4 (13) |
Ni1—P4—C45 | 119.3 (4) | C32—C33—C34 | 122.0 (13) |
C44—P4—C45 | 99.7 (5) | C29—C34—C33 | 117.6 (11) |
Ni1—P4—C51 | 123.8 (4) | P3—C35—C36 | 118.5 (9) |
C44—P4—C51 | 99.8 (5) | P3—C35—C40 | 124.7 (9) |
C45—P4—C51 | 97.2 (5) | C36—C35—C40 | 116.6 (11) |
P1—C13—C14 | 111.6 (7) | C35—C36—C37 | 122.1 (12) |
C13—C14—C15 | 113.7 (9) | C36—C37—C38 | 119.5 (13) |
C14—C15—C16 | 116.5 (8) | C37—C38—C39 | 121.4 (14) |
P2—C16—C15 | 115.7 (7) | C38—C39—C40 | 119.3 (13) |
P3—C41—C42 | 115.2 (7) | C35—C40—C39 | 121.0 (12) |
C41—C42—C43 | 116.5 (9) | P4—C45—C46 | 119.9 (9) |
C42—C43—C44 | 115.0 (9) | P4—C45—C50 | 123.0 (9) |
P4—C44—C43 | 110.7 (7) | C46—C45—C50 | 117.1 (11) |
P1—C1—C2 | 120.6 (9) | C45—C46—C47 | 121.1 (12) |
P1—C1—C6 | 122.5 (9) | C46—C47—C48 | 121.9 (13) |
C2—C1—C6 | 116.9 (11) | C47—C48—C49 | 117.0 (13) |
C1—C2—C3 | 122.7 (12) | C48—C49—C50 | 122.7 (13) |
C2—C3—C4 | 119.1 (13) | C45—C50—C49 | 120.2 (12) |
C3—C4—C5 | 120.8 (13) | P4—C51—C52 | 118.5 (9) |
C4—C5—C6 | 118.8 (13) | P4—C51—C56 | 122.9 (9) |
C1—C6—C5 | 121.5 (12) | C52—C51—C56 | 118.5 (11) |
P1—C7—C8 | 120.2 (8) | C51—C52—C53 | 119.0 (12) |
P1—C7—C12 | 120.5 (8) | C52—C53—C54 | 121.1 (12) |
C8—C7—C12 | 119.2 (10) | C53—C54—C55 | 119.4 (13) |
C7—C8—C9 | 121.6 (11) | C54—C55—C56 | 120.9 (13) |
C8—C9—C10 | 117.7 (13) | C51—C56—C55 | 121.0 (11) |
P—Ni—P(chelate) and Ni—P—C(metallacycle) angles (°)
for selected NiP4
complexes with corresponding 31P NMR chemical shifts top
Complex | P—Ni—P(chelate) | Ni—P—C(met) | δ(31P) |
[Ni(dppm)2] | 5.6 | ||
[Ni(dcpm)2] | 77.5 (2) | 93.3 (2) | |
[Ni(dppe)2] | 90.8 (1) | 105.6 (3) | 44.7 |
[Ni(dppb)2] | 105.0 (2) | 115.7 (4) | 17.7 |