Carbon­yl(8-hydroxy­quinolinato)[tris­(2,4-di-tert-butyl­phen­yl)phosphite]rhodium(I) acetone hemisolvate

Janse van Rensburg, J.M.; Roodt, A.; Muller, A.

doi:10.1107/S1600536806040189

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Carbonyl(8-hydroxyquinolinato)[tris(2,4-di-tert-butylphenyl)phosphite]rhodium(I) acetone hemisolvate

J. M. Janse van Rensburg, A. Roodt and A. Muller

Molecules of the title compound, [Rh(C₉H₆NO){(C₁₄H₂₁O)₃P}(CO)]·0.5(CH₃)₂CO, where (C₉H₆NO) = 8-hydroxyquinolinato and {(C₁₄H₂₁O)₃P} = tris(2,4-di-tert-butylphenyl)phosphite, pack in a tail-to-tail fashion with an intermolecular quinoline ligand-to-ligand π-stacking distance of 3.312 (1) Å. The effective cone angle (Θ_E) for the phosphite ligand is 192°. The bidentate oxine ligand has a bite angle of 81.00 (8)° and the Rh—P bond length is 2.1819 (6) Å.

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Supporting information

	Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536806040189/bi2052sup1.cif Contains datablocks global, I
	Structure factor file (CIF format) https://doi.org/10.1107/S1600536806040189/bi2052Isup2.hkl Contains datablock I

CCDC reference: 627319

checkCIF report

Key indicators

Single-crystal X-ray study
T = 150 K
Mean (C-C) = 0.004 Å
Disorder in solvent or counterion
R factor = 0.039
wR factor = 0.130
Data-to-parameter ratio = 22.2

checkCIF/PLATON results

No syntax errors found



Alert level C
PLAT041_ALERT_1_C Calc. and Rep. SumFormula Strings    Differ ....          ?
PLAT042_ALERT_1_C Calc. and Rep. MoietyFormula Strings Differ ....          ?
PLAT045_ALERT_1_C Calculated and Reported Z Differ by ............       0.50 Ratio
PLAT094_ALERT_2_C Ratio of Maximum / Minimum Residual Density ....       2.36
PLAT220_ALERT_2_C Large Non-Solvent    C     Ueq(max)/Ueq(min) ...       3.18 Ratio
PLAT220_ALERT_2_C Large Non-Solvent    O     Ueq(max)/Ueq(min) ...       2.55 Ratio
PLAT222_ALERT_3_C Large Non-Solvent    H     Ueq(max)/Ueq(min) ...       3.41 Ratio
PLAT250_ALERT_2_C Large U3/U1 Ratio for Average U(i,j) Tensor ....       2.08
PLAT302_ALERT_4_C Anion/Solvent Disorder .........................      25.00 Perc.
PLAT601_ALERT_2_C Structure Contains Solvent Accessible VOIDS of .      41.00 A   3 

Alert level G
FORMU01_ALERT_1_G  There is a discrepancy between the atom counts in the
            _chemical_formula_sum and _chemical_formula_moiety. This is
            usually due to the moiety formula being in the wrong format.
            Atom count from _chemical_formula_sum:   C53.5 H72 N1 O5.5 P1 Rh1
            Atom count from _chemical_formula_moiety:

   0 ALERT level A = In general: serious problem
   0 ALERT level B = Potentially serious problem
  10 ALERT level C = Check and explain
   1 ALERT level G = General alerts; check

   4 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
   5 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, 2005); cell refinement: SAINT-Plus (Bruker, 2004); data reduction: SAINT-Plus; program(s) used to solve structure: SIR97 (Altomare et al., 1999); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: DIAMOND (Brandenburg & Putz, 2005); software used to prepare material for publication: WinGX (Farrugia, 1999).

Carbonyl[tris(2,4-di-tert-butylphenyl)phosphite](8-hydroxyquinolinato) rhodium(I) acetone hemisolvate top

Crystal data top

[Rh(C₉H₆NO){(C₁₄H₂₁O)₃P}(CO)]·0.5C₃H₆O	F(000) = 4032
M_r = 951	D_x = 1.175 Mg m⁻³
Orthorhombic, Pccn	Mo Kα radiation, λ = 0.71073 Å
Hall symbol: -P 2ab 2ac	Cell parameters from 7476 reflections
a = 34.945 (5) Å	θ = 2.3–27.7°
b = 17.307 (5) Å	µ = 0.39 mm⁻¹
c = 17.778 (5) Å	T = 150 K
V = 10752 (5) Å³	Block, yellow
Z = 8	0.3 × 0.28 × 0.21 mm

Data collection top

Bruker X8 ApexII CCD diffractometer	13332 independent reflections
Radiation source: fine-focus sealed tube	10688 reflections with I > 2σ(I)
Graphite monochromator	R_int = 0.043
ω and φ scans	θ_max = 28.3°, θ_min = 1.2°
Absorption correction: multi-scan (SADABS; Bruker, 2004)	h = −45→46
T_min = 0.892, T_max = 0.922	k = −20→23
86538 measured reflections	l = −23→23

Refinement top

Refinement on F²	6 restraints
Least-squares matrix: full	H-atom parameters constrained
R[F² > 2σ(F²)] = 0.039	w = 1/[σ²(F_o²) + (0.0709P)² + 8.2813P] where P = (F_o² + 2F_c²)/3
wR(F²) = 0.130	(Δ/σ)_max = 0.002
S = 1.07	Δρ_max = 1.14 e Å⁻³
13332 reflections	Δρ_min = −0.48 e Å⁻³
600 parameters

Special details top

Experimental. The intensity data was collected on a Bruker X8 Apex II 4 K Kappa CCD diffractometer using an exposure time of 10 s/frame. A total of 1125 frames were collected with a frame width of 0.5° covering up to θ = 28.0° with 100% completeness accomplished.

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.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å²) top

	x	y	z	U_iso*/U_eq	Occ. (<1)
Rh	0.424373 (5)	0.033301 (10)	0.144019 (10)	0.02034 (7)
P	0.369749 (15)	−0.00206 (3)	0.19249 (3)	0.01656 (11)
N	0.47385 (6)	0.06700 (12)	0.08734 (11)	0.0256 (4)
O1	0.36793 (4)	−0.07805 (9)	0.24404 (8)	0.0184 (3)
O2	0.34904 (4)	0.05015 (9)	0.25486 (8)	0.0204 (3)
O3	0.33881 (4)	−0.01596 (9)	0.12782 (8)	0.0183 (3)
O4	0.40017 (5)	0.07404 (11)	0.04853 (10)	0.0324 (4)
O5	0.46625 (6)	−0.03168 (13)	0.27429 (12)	0.0467 (5)
C1	0.51004 (7)	0.06073 (16)	0.10770 (15)	0.0316 (5)
H1	0.5157	0.0422	0.1556	0.038*
C2	0.54035 (8)	0.08093 (16)	0.05978 (17)	0.0379 (6)
H2	0.5656	0.0764	0.0758	0.046*
C3	0.53236 (8)	0.10698 (16)	−0.00967 (17)	0.0391 (7)
H3	0.5523	0.1205	−0.0417	0.047*
C4	0.49434 (8)	0.11427 (15)	−0.03500 (16)	0.0360 (6)
C5	0.48318 (10)	0.13708 (19)	−0.10809 (18)	0.0492 (8)
H5	0.5015	0.1512	−0.1435	0.059*
C6	0.44525 (11)	0.1382 (2)	−0.12614 (18)	0.0547 (9)
H6	0.4382	0.1531	−0.1745	0.066*
C7	0.41610 (10)	0.11768 (19)	−0.07477 (17)	0.0441 (7)
H7	0.3906	0.1192	−0.0896	0.053*
C8	0.42560 (7)	0.09532 (15)	−0.00249 (15)	0.0316 (5)
C9	0.46522 (7)	0.09387 (14)	0.01664 (15)	0.0301 (5)
C10	0.44919 (7)	−0.00647 (16)	0.22511 (14)	0.0293 (5)
C11	0.38862 (6)	−0.14544 (12)	0.22824 (12)	0.0174 (4)
C12	0.40013 (6)	−0.19175 (13)	0.28920 (12)	0.0190 (4)
C13	0.42247 (6)	−0.25557 (13)	0.27062 (13)	0.0219 (4)
H13	0.4313	−0.2866	0.3096	0.026*
C14	0.43251 (6)	−0.27610 (13)	0.19692 (13)	0.0219 (4)
C15	0.41823 (6)	−0.23090 (13)	0.13955 (12)	0.0208 (4)
H15	0.4234	−0.2441	0.0899	0.025*
C16	0.39619 (6)	−0.16577 (13)	0.15497 (12)	0.0186 (4)
H16	0.3866	−0.136	0.1157	0.022*
C21	0.33962 (6)	0.12834 (12)	0.24597 (12)	0.0199 (4)
C22	0.33843 (6)	0.17500 (13)	0.31064 (12)	0.0219 (4)
C23	0.32617 (7)	0.25056 (13)	0.29940 (13)	0.0245 (5)
H23	0.3251	0.283	0.3411	0.029*
C24	0.31537 (7)	0.28116 (13)	0.22976 (13)	0.0246 (5)
C25	0.31803 (8)	0.23292 (14)	0.16785 (14)	0.0292 (5)
H25	0.3117	0.2516	0.1204	0.035*
C26	0.33017 (7)	0.15689 (14)	0.17598 (13)	0.0271 (5)
H26	0.3319	0.1251	0.134	0.033*
C31	0.30192 (6)	−0.04769 (12)	0.13120 (12)	0.0171 (4)
C32	0.28317 (6)	−0.06078 (12)	0.06263 (11)	0.0176 (4)
C33	0.24701 (6)	−0.09385 (12)	0.06801 (12)	0.0197 (4)
H33	0.2337	−0.1029	0.0236	0.024*
C34	0.22935 (6)	−0.11438 (13)	0.13564 (12)	0.0193 (4)
C35	0.24899 (6)	−0.09912 (13)	0.20151 (12)	0.0202 (4)
H35	0.238	−0.1116	0.2476	0.024*
C36	0.28500 (6)	−0.06537 (13)	0.19944 (12)	0.0194 (4)
H36	0.2978	−0.0546	0.2441	0.023*
C121	0.38749 (7)	−0.17576 (14)	0.37054 (12)	0.0226 (4)
C122	0.34346 (7)	−0.17556 (17)	0.37427 (14)	0.0313 (5)
H12D	0.3338	−0.2242	0.3564	0.047*
H12E	0.3337	−0.1346	0.3434	0.047*
H12F	0.3354	−0.1678	0.4254	0.047*
C123	0.40335 (8)	−0.09795 (15)	0.39843 (14)	0.0315 (5)
H12G	0.3952	−0.0893	0.4493	0.047*
H12H	0.394	−0.0571	0.3669	0.047*
H12I	0.4308	−0.0989	0.3965	0.047*
C124	0.40158 (8)	−0.23832 (16)	0.42436 (14)	0.0327 (6)
H12A	0.3915	−0.2875	0.4091	0.049*
H12B	0.393	−0.2268	0.4744	0.049*
H12C	0.429	−0.24	0.4234	0.049*
C141	0.45818 (7)	−0.34663 (15)	0.18299 (14)	0.0293 (5)
C142	0.43893 (8)	−0.41933 (15)	0.21416 (16)	0.0357 (6)
H14G	0.4339	−0.4125	0.2668	0.054*
H14H	0.4556	−0.4629	0.2072	0.054*
H14I	0.4153	−0.4282	0.188	0.054*
C143	0.49685 (7)	−0.33218 (17)	0.22240 (17)	0.0370 (6)
H14A	0.5086	−0.2867	0.2018	0.056*
H14B	0.5133	−0.3758	0.2146	0.056*
H14C	0.4927	−0.325	0.2753	0.056*
C144	0.46588 (10)	−0.3592 (2)	0.09924 (16)	0.0502 (8)
H14D	0.4423	−0.3711	0.0741	0.075*
H14E	0.4835	−0.4013	0.093	0.075*
H14F	0.4767	−0.3131	0.078	0.075*
C221	0.34997 (8)	0.14491 (14)	0.38870 (13)	0.0275 (5)
C222	0.39247 (8)	0.12372 (17)	0.38798 (17)	0.0397 (6)
H22G	0.3972	0.0869	0.3487	0.06*
H22H	0.3994	0.1016	0.4356	0.06*
H22I	0.4074	0.1693	0.3792	0.06*
C223	0.32531 (9)	0.07527 (16)	0.41135 (14)	0.0367 (6)
H22A	0.2987	0.0891	0.4086	0.055*
H22B	0.3315	0.0601	0.4618	0.055*
H22C	0.3303	0.033	0.3777	0.055*
C224	0.34448 (10)	0.20674 (17)	0.45013 (15)	0.0434 (7)
H22D	0.3602	0.2508	0.4389	0.065*
H22E	0.3517	0.1858	0.498	0.065*
H22F	0.3181	0.2222	0.4517	0.065*
C241	0.30091 (7)	0.36482 (14)	0.22478 (14)	0.0281 (5)
C242	0.33288 (8)	0.42021 (15)	0.24880 (16)	0.0368 (6)
H24G	0.3411	0.4076	0.2989	0.055*
H24H	0.3235	0.4723	0.2477	0.055*
H24I	0.3541	0.4154	0.2148	0.055*
C243	0.26637 (8)	0.37486 (15)	0.27730 (15)	0.0333 (6)
H24A	0.2463	0.3403	0.2622	0.05*
H24B	0.2574	0.4272	0.2745	0.05*
H24C	0.2739	0.3634	0.328	0.05*
C244	0.28833 (10)	0.38609 (16)	0.14441 (15)	0.0425 (7)
H24D	0.3097	0.3809	0.1108	0.064*
H24E	0.2793	0.4385	0.1436	0.064*
H24F	0.2681	0.3521	0.1287	0.064*
C321	0.30038 (7)	−0.03819 (13)	−0.01390 (12)	0.0221 (4)
C322	0.33906 (7)	−0.07795 (16)	−0.02720 (14)	0.0319 (6)
H32D	0.3575	−0.0585	0.008	0.048*
H32E	0.3476	−0.0675	−0.0775	0.048*
H32F	0.3363	−0.1327	−0.0204	0.048*
C323	0.30552 (8)	0.04976 (15)	−0.01789 (14)	0.0306 (5)
H32A	0.325	0.0654	0.017	0.046*
H32B	0.2818	0.0746	−0.0052	0.046*
H32C	0.3129	0.0642	−0.0679	0.046*
C324	0.27391 (8)	−0.06116 (18)	−0.07909 (13)	0.0343 (6)
H32G	0.2851	−0.0451	−0.1259	0.051*
H32H	0.2495	−0.0366	−0.0728	0.051*
H32I	0.2706	−0.1162	−0.0793	0.051*
C341	0.18999 (6)	−0.15331 (14)	0.13420 (13)	0.0225 (4)
C342	0.17545 (7)	−0.17148 (17)	0.21320 (14)	0.0324 (6)
H34G	0.1929	−0.2063	0.2376	0.049*
H34H	0.1506	−0.195	0.21	0.049*
H34I	0.1737	−0.1245	0.2418	0.049*
C343	0.19289 (7)	−0.22968 (14)	0.09027 (15)	0.0295 (5)
H34A	0.2026	−0.2196	0.0407	0.044*
H34B	0.168	−0.2528	0.0866	0.044*
H34C	0.2099	−0.2642	0.1161	0.044*
C344	0.16090 (7)	−0.09981 (15)	0.09566 (14)	0.0282 (5)
H34D	0.1587	−0.0526	0.1237	0.042*
H34E	0.1364	−0.1249	0.0937	0.042*
H34F	0.1694	−0.0885	0.0455	0.042*
C40A	0.4759 (2)	0.1840 (6)	0.5904 (6)	0.0378 (14)	0.301 (3)
H40A	0.4901	0.1365	0.5905	0.057*	0.301 (3)
H40B	0.4869	0.2191	0.6261	0.057*	0.301 (3)
H40C	0.4767	0.2065	0.5411	0.057*	0.301 (3)
C41A	0.4215 (5)	0.2420 (9)	0.6470 (7)	0.0378 (14)	0.301 (3)
H41A	0.4044	0.2688	0.6137	0.057*	0.301 (3)
H41B	0.4439	0.2728	0.6552	0.057*	0.301 (3)
H41C	0.4089	0.233	0.6942	0.057*	0.301 (3)
C42A	0.4326 (3)	0.1669 (7)	0.6129 (6)	0.0378 (14)	0.301 (3)
O6A	0.4130 (3)	0.1122 (5)	0.6087 (5)	0.068 (2)	0.301 (3)
C40B	0.4641 (4)	0.1836 (10)	0.5621 (8)	0.0378 (14)	0.199 (3)
H40D	0.4717	0.1332	0.5453	0.057*	0.199 (3)
H40E	0.4864	0.2152	0.5692	0.057*	0.199 (3)
H40F	0.4477	0.2069	0.5251	0.057*	0.199 (3)
C41B	0.4205 (7)	0.2424 (14)	0.6645 (12)	0.0378 (14)	0.199 (3)
H41D	0.3967	0.2236	0.6847	0.057*	0.199 (3)
H41E	0.4153	0.2783	0.6245	0.057*	0.199 (3)
H41F	0.4347	0.2679	0.7034	0.057*	0.199 (3)
C42B	0.4431 (4)	0.1767 (10)	0.6348 (8)	0.0378 (14)	0.199 (3)
O6B	0.4375 (4)	0.1196 (7)	0.6694 (8)	0.068 (2)	0.199 (3)

Atomic displacement parameters (Å²) top

	U¹¹	U²²	U³³	U¹²	U¹³	U²³
Rh	0.01890 (10)	0.02238 (10)	0.01974 (10)	−0.00549 (6)	0.00165 (6)	0.00041 (7)
P	0.0172 (2)	0.0169 (3)	0.0156 (3)	−0.00137 (19)	0.00040 (19)	0.0007 (2)
N	0.0266 (10)	0.0242 (10)	0.0260 (10)	−0.0085 (8)	0.0061 (8)	−0.0048 (8)
O1	0.0202 (7)	0.0181 (7)	0.0167 (7)	0.0010 (6)	0.0013 (6)	0.0018 (6)
O2	0.0267 (8)	0.0175 (7)	0.0170 (7)	0.0017 (6)	0.0016 (6)	−0.0002 (6)
O3	0.0169 (7)	0.0221 (7)	0.0160 (7)	−0.0040 (6)	−0.0004 (6)	0.0014 (6)
O4	0.0280 (9)	0.0416 (11)	0.0276 (9)	−0.0043 (8)	0.0012 (7)	0.0105 (8)
O5	0.0340 (10)	0.0632 (15)	0.0430 (12)	−0.0134 (9)	−0.0121 (9)	0.0193 (10)
C1	0.0282 (12)	0.0331 (13)	0.0336 (13)	−0.0100 (10)	0.0044 (10)	−0.0082 (11)
C2	0.0298 (13)	0.0343 (14)	0.0497 (17)	−0.0117 (11)	0.0094 (12)	−0.0098 (13)
C3	0.0377 (14)	0.0281 (13)	0.0513 (17)	−0.0095 (11)	0.0220 (13)	−0.0061 (12)
C4	0.0453 (15)	0.0246 (12)	0.0381 (14)	−0.0056 (11)	0.0172 (12)	0.0006 (11)
C5	0.061 (2)	0.0446 (17)	0.0419 (17)	−0.0003 (15)	0.0231 (15)	0.0155 (14)
C6	0.073 (2)	0.056 (2)	0.0342 (16)	0.0048 (18)	0.0111 (16)	0.0224 (15)
C7	0.0523 (17)	0.0459 (17)	0.0339 (15)	0.0020 (14)	0.0037 (13)	0.0142 (13)
C8	0.0381 (14)	0.0277 (13)	0.0288 (13)	−0.0017 (10)	0.0068 (10)	0.0048 (10)
C9	0.0369 (13)	0.0214 (11)	0.0321 (13)	−0.0057 (10)	0.0105 (10)	−0.0003 (10)
C10	0.0218 (11)	0.0367 (13)	0.0293 (13)	−0.0124 (10)	−0.0006 (9)	0.0059 (11)
C11	0.0153 (9)	0.0158 (9)	0.0212 (10)	−0.0013 (7)	−0.0009 (7)	0.0007 (8)
C12	0.0199 (10)	0.0200 (10)	0.0171 (10)	−0.0020 (8)	−0.0017 (8)	0.0009 (8)
C13	0.0236 (11)	0.0218 (11)	0.0204 (10)	0.0015 (8)	−0.0034 (8)	0.0037 (9)
C14	0.0212 (10)	0.0222 (11)	0.0222 (11)	0.0024 (8)	−0.0006 (8)	−0.0004 (9)
C15	0.0215 (10)	0.0225 (11)	0.0183 (10)	−0.0014 (8)	0.0008 (8)	−0.0025 (8)
C16	0.0174 (10)	0.0212 (10)	0.0171 (10)	−0.0017 (8)	−0.0012 (7)	0.0023 (8)
C21	0.0226 (10)	0.0165 (10)	0.0206 (10)	−0.0002 (8)	0.0020 (8)	0.0003 (8)
C22	0.0249 (11)	0.0217 (11)	0.0192 (10)	−0.0019 (8)	0.0007 (8)	−0.0002 (9)
C23	0.0317 (12)	0.0202 (11)	0.0217 (11)	−0.0008 (9)	0.0031 (9)	−0.0040 (9)
C24	0.0307 (12)	0.0186 (10)	0.0246 (11)	0.0003 (9)	0.0026 (9)	0.0016 (9)
C25	0.0453 (14)	0.0238 (12)	0.0185 (10)	0.0057 (10)	0.0017 (10)	0.0023 (9)
C26	0.0409 (13)	0.0218 (11)	0.0186 (11)	0.0043 (10)	0.0015 (10)	−0.0020 (9)
C31	0.0162 (9)	0.0166 (9)	0.0185 (10)	0.0001 (7)	−0.0002 (7)	0.0012 (8)
C32	0.0213 (10)	0.0161 (9)	0.0155 (10)	0.0008 (8)	−0.0005 (8)	0.0005 (8)
C33	0.0217 (10)	0.0210 (10)	0.0163 (10)	−0.0005 (8)	−0.0026 (8)	−0.0015 (8)
C34	0.0182 (10)	0.0191 (10)	0.0207 (10)	0.0006 (8)	−0.0005 (8)	0.0003 (8)
C35	0.0204 (10)	0.0246 (11)	0.0157 (9)	−0.0006 (8)	0.0017 (8)	0.0015 (8)
C36	0.0204 (10)	0.0226 (10)	0.0153 (10)	−0.0009 (8)	−0.0005 (8)	−0.0001 (8)
C121	0.0273 (11)	0.0251 (11)	0.0154 (10)	0.0007 (9)	−0.0007 (8)	0.0015 (9)
C122	0.0315 (13)	0.0424 (15)	0.0200 (11)	0.0016 (11)	0.0054 (9)	0.0040 (11)
C123	0.0432 (14)	0.0307 (13)	0.0207 (11)	−0.0023 (11)	−0.0028 (10)	−0.0034 (10)
C124	0.0449 (15)	0.0350 (14)	0.0181 (11)	0.0054 (11)	−0.0008 (10)	0.0063 (10)
C141	0.0310 (12)	0.0291 (12)	0.0277 (12)	0.0112 (10)	−0.0019 (10)	−0.0009 (10)
C142	0.0380 (14)	0.0256 (13)	0.0434 (15)	0.0074 (11)	−0.0097 (12)	−0.0027 (11)
C143	0.0267 (12)	0.0364 (14)	0.0480 (16)	0.0080 (11)	0.0000 (11)	0.0087 (13)
C144	0.066 (2)	0.0520 (19)	0.0326 (15)	0.0326 (16)	0.0085 (14)	−0.0033 (14)
C221	0.0412 (14)	0.0233 (11)	0.0181 (11)	0.0012 (10)	−0.0023 (10)	−0.0003 (9)
C222	0.0430 (16)	0.0366 (15)	0.0395 (15)	0.0008 (12)	−0.0156 (12)	0.0008 (13)
C223	0.0549 (17)	0.0319 (14)	0.0232 (12)	−0.0017 (12)	0.0069 (11)	0.0051 (11)
C224	0.077 (2)	0.0332 (15)	0.0203 (12)	0.0040 (14)	−0.0052 (13)	−0.0049 (11)
C241	0.0394 (13)	0.0188 (11)	0.0262 (12)	0.0039 (10)	0.0026 (10)	0.0015 (9)
C242	0.0465 (15)	0.0219 (12)	0.0420 (15)	−0.0031 (11)	0.0047 (12)	0.0008 (11)
C243	0.0374 (14)	0.0256 (12)	0.0368 (14)	0.0070 (10)	0.0011 (11)	−0.0013 (11)
C244	0.071 (2)	0.0253 (13)	0.0314 (14)	0.0142 (13)	−0.0055 (13)	0.0029 (11)
C321	0.0261 (11)	0.0263 (11)	0.0137 (10)	−0.0005 (9)	−0.0006 (8)	0.0010 (8)
C322	0.0360 (13)	0.0388 (14)	0.0210 (11)	0.0057 (11)	0.0097 (10)	0.0012 (10)
C323	0.0411 (14)	0.0282 (12)	0.0224 (12)	−0.0028 (10)	−0.0003 (10)	0.0082 (10)
C324	0.0388 (14)	0.0483 (16)	0.0157 (11)	−0.0102 (12)	−0.0022 (10)	0.0002 (11)
C341	0.0198 (10)	0.0237 (11)	0.0240 (11)	−0.0040 (8)	−0.0013 (8)	0.0002 (9)
C342	0.0263 (12)	0.0421 (15)	0.0288 (13)	−0.0124 (11)	0.0028 (10)	0.0030 (11)
C343	0.0257 (11)	0.0254 (12)	0.0372 (14)	−0.0052 (9)	−0.0004 (10)	−0.0046 (10)
C344	0.0213 (11)	0.0302 (13)	0.0331 (13)	0.0009 (9)	−0.0036 (9)	−0.0036 (10)
C40A	0.028 (2)	0.047 (2)	0.039 (4)	0.0012 (19)	0.002 (2)	0.013 (3)
C41A	0.028 (2)	0.047 (2)	0.039 (4)	0.0012 (19)	0.002 (2)	0.013 (3)
C42A	0.028 (2)	0.047 (2)	0.039 (4)	0.0012 (19)	0.002 (2)	0.013 (3)
O6A	0.100 (6)	0.036 (3)	0.066 (5)	0.011 (4)	0.040 (4)	0.008 (4)
C40B	0.028 (2)	0.047 (2)	0.039 (4)	0.0012 (19)	0.002 (2)	0.013 (3)
C41B	0.028 (2)	0.047 (2)	0.039 (4)	0.0012 (19)	0.002 (2)	0.013 (3)
C42B	0.028 (2)	0.047 (2)	0.039 (4)	0.0012 (19)	0.002 (2)	0.013 (3)
O6B	0.100 (6)	0.036 (3)	0.066 (5)	0.011 (4)	0.040 (4)	0.008 (4)

Geometric parameters (Å, º) top

Rh—C10	1.818 (3)	C141—C143	1.543 (4)
Rh—O4	2.0234 (18)	C142—H14G	0.96
Rh—N	2.0842 (19)	C142—H14H	0.96
Rh—P	2.1819 (6)	C142—H14I	0.96
P—O3	1.5965 (16)	C143—H14A	0.96
P—O2	1.6030 (16)	C143—H14B	0.96
P—O1	1.6042 (16)	C143—H14C	0.96
N—C1	1.320 (3)	C144—H14D	0.96
N—C9	1.374 (3)	C144—H14E	0.96
O1—C11	1.401 (2)	C144—H14F	0.96
O2—C21	1.402 (3)	C221—C222	1.530 (4)
O3—C31	1.402 (2)	C221—C223	1.535 (4)
O4—C8	1.322 (3)	C221—C224	1.541 (3)
O5—C10	1.145 (3)	C222—H22G	0.96
C1—C2	1.404 (4)	C222—H22H	0.96
C1—H1	0.93	C222—H22I	0.96
C2—C3	1.344 (4)	C223—H22A	0.96
C2—H2	0.93	C223—H22B	0.96
C3—C4	1.409 (4)	C223—H22C	0.96
C3—H3	0.93	C224—H22D	0.96
C4—C5	1.413 (4)	C224—H22E	0.96
C4—C9	1.415 (3)	C224—H22F	0.96
C5—C6	1.364 (5)	C241—C242	1.533 (4)
C5—H5	0.93	C241—C243	1.536 (4)
C6—C7	1.413 (4)	C241—C244	1.540 (4)
C6—H6	0.93	C242—H24G	0.96
C7—C8	1.382 (4)	C242—H24H	0.96
C7—H7	0.93	C242—H24I	0.96
C8—C9	1.426 (4)	C243—H24A	0.96
C11—C16	1.375 (3)	C243—H24B	0.96
C11—C12	1.407 (3)	C243—H24C	0.96
C12—C13	1.392 (3)	C244—H24D	0.96
C12—C121	1.537 (3)	C244—H24E	0.96
C13—C14	1.402 (3)	C244—H24F	0.96
C13—H13	0.93	C321—C323	1.534 (3)
C14—C15	1.379 (3)	C321—C322	1.535 (3)
C14—C141	1.535 (3)	C321—C324	1.535 (3)
C15—C16	1.392 (3)	C322—H32D	0.96
C15—H15	0.93	C322—H32E	0.96
C16—H16	0.93	C322—H32F	0.96
C21—C26	1.379 (3)	C323—H32A	0.96
C21—C22	1.406 (3)	C323—H32B	0.96
C22—C23	1.391 (3)	C323—H32C	0.96
C22—C221	1.536 (3)	C324—H32G	0.96
C23—C24	1.398 (3)	C324—H32H	0.96
C23—H23	0.93	C324—H32I	0.96
C24—C25	1.385 (3)	C341—C342	1.526 (3)
C24—C241	1.536 (3)	C341—C344	1.536 (3)
C25—C26	1.390 (3)	C341—C343	1.539 (3)
C25—H25	0.93	C342—H34G	0.96
C26—H26	0.93	C342—H34H	0.96
C31—C36	1.384 (3)	C342—H34I	0.96
C31—C32	1.402 (3)	C343—H34A	0.96
C32—C33	1.390 (3)	C343—H34B	0.96
C32—C321	1.538 (3)	C343—H34C	0.96
C33—C34	1.397 (3)	C344—H34D	0.96
C33—H33	0.93	C344—H34E	0.96
C34—C35	1.383 (3)	C344—H34F	0.96
C34—C341	1.532 (3)	C40A—C42A	1.592 (11)
C35—C36	1.388 (3)	C40A—H40A	0.96
C35—H35	0.93	C40A—H40B	0.96
C36—H36	0.93	C40A—H40C	0.96
C121—C124	1.527 (3)	C41A—C42A	1.487 (13)
C121—C123	1.538 (3)	C41A—H41A	0.96
C121—C122	1.540 (3)	C41A—H41B	0.96
C122—H12D	0.96	C41A—H41C	0.96
C122—H12E	0.96	C42A—O6A	1.171 (14)
C122—H12F	0.96	C40B—C42B	1.491 (15)
C123—H12G	0.96	C40B—H40D	0.96
C123—H12H	0.96	C40B—H40E	0.96
C123—H12I	0.96	C40B—H40F	0.96
C124—H12A	0.96	C41B—C42B	1.482 (16)
C124—H12B	0.96	C41B—H41D	0.96
C124—H12C	0.96	C41B—H41E	0.96
C141—C144	1.529 (4)	C41B—H41F	0.96
C141—C142	1.530 (4)	C42B—O6B	1.18 (2)

C10—Rh—O4	175.38 (10)	C141—C142—H14H	109.5
C10—Rh—N	95.37 (9)	H14G—C142—H14H	109.5
O4—Rh—N	81.00 (8)	C141—C142—H14I	109.5
C10—Rh—P	89.88 (7)	H14G—C142—H14I	109.5
O4—Rh—P	93.64 (5)	H14H—C142—H14I	109.5
N—Rh—P	174.30 (6)	C141—C143—H14A	109.5
O3—P—O2	106.10 (8)	C141—C143—H14B	109.5
O3—P—O1	105.13 (8)	H14A—C143—H14B	109.5
O2—P—O1	92.81 (8)	C141—C143—H14C	109.5
O3—P—Rh	110.51 (6)	H14A—C143—H14C	109.5
O2—P—Rh	120.66 (6)	H14B—C143—H14C	109.5
O1—P—Rh	119.36 (6)	C141—C144—H14D	109.5
C1—N—C9	119.3 (2)	C141—C144—H14E	109.5
C1—N—Rh	129.74 (18)	H14D—C144—H14E	109.5
C9—N—Rh	110.80 (16)	C141—C144—H14F	109.5
C11—O1—P	123.20 (13)	H14D—C144—H14F	109.5
C21—O2—P	124.90 (14)	H14E—C144—H14F	109.5
C31—O3—P	130.60 (14)	C222—C221—C223	111.0 (2)
C8—O4—Rh	113.06 (16)	C222—C221—C22	109.2 (2)
N—C1—C2	122.4 (3)	C223—C221—C22	110.8 (2)
N—C1—H1	118.8	C222—C221—C224	107.0 (2)
C2—C1—H1	118.8	C223—C221—C224	106.8 (2)
C3—C2—C1	119.0 (3)	C22—C221—C224	111.9 (2)
C3—C2—H2	120.5	C221—C222—H22G	109.5
C1—C2—H2	120.5	C221—C222—H22H	109.5
C2—C3—C4	121.3 (2)	H22G—C222—H22H	109.5
C2—C3—H3	119.3	C221—C222—H22I	109.5
C4—C3—H3	119.3	H22G—C222—H22I	109.5
C3—C4—C5	125.4 (3)	H22H—C222—H22I	109.5
C3—C4—C9	116.6 (3)	C221—C223—H22A	109.5
C5—C4—C9	117.9 (3)	C221—C223—H22B	109.5
C6—C5—C4	119.3 (3)	H22A—C223—H22B	109.5
C6—C5—H5	120.4	C221—C223—H22C	109.5
C4—C5—H5	120.4	H22A—C223—H22C	109.5
C5—C6—C7	123.0 (3)	H22B—C223—H22C	109.5
C5—C6—H6	118.5	C221—C224—H22D	109.5
C7—C6—H6	118.5	C221—C224—H22E	109.5
C8—C7—C6	119.9 (3)	H22D—C224—H22E	109.5
C8—C7—H7	120.1	C221—C224—H22F	109.5
C6—C7—H7	120.1	H22D—C224—H22F	109.5
O4—C8—C7	123.7 (3)	H22E—C224—H22F	109.5
O4—C8—C9	119.0 (2)	C242—C241—C243	109.4 (2)
C7—C8—C9	117.4 (2)	C242—C241—C24	109.5 (2)
N—C9—C4	121.4 (2)	C243—C241—C24	109.3 (2)
N—C9—C8	115.9 (2)	C242—C241—C244	108.5 (2)
C4—C9—C8	122.6 (3)	C243—C241—C244	108.2 (2)
O5—C10—Rh	177.0 (2)	C24—C241—C244	111.9 (2)
C16—C11—O1	120.15 (19)	C241—C242—H24G	109.5
C16—C11—C12	121.9 (2)	C241—C242—H24H	109.5
O1—C11—C12	117.87 (19)	H24G—C242—H24H	109.5
C13—C12—C11	115.4 (2)	C241—C242—H24I	109.5
C13—C12—C121	121.81 (19)	H24G—C242—H24I	109.5
C11—C12—C121	122.7 (2)	H24H—C242—H24I	109.5
C12—C13—C14	124.3 (2)	C241—C243—H24A	109.5
C12—C13—H13	117.9	C241—C243—H24B	109.5
C14—C13—H13	117.9	H24A—C243—H24B	109.5
C15—C14—C13	117.2 (2)	C241—C243—H24C	109.5
C15—C14—C141	122.9 (2)	H24A—C243—H24C	109.5
C13—C14—C141	119.9 (2)	H24B—C243—H24C	109.5
C14—C15—C16	120.9 (2)	C241—C244—H24D	109.5
C14—C15—H15	119.5	C241—C244—H24E	109.5
C16—C15—H15	119.5	H24D—C244—H24E	109.5
C11—C16—C15	120.0 (2)	C241—C244—H24F	109.5
C11—C16—H16	120	H24D—C244—H24F	109.5
C15—C16—H16	120	H24E—C244—H24F	109.5
C26—C21—O2	120.27 (19)	C323—C321—C322	109.5 (2)
C26—C21—C22	121.7 (2)	C323—C321—C324	107.0 (2)
O2—C21—C22	117.99 (19)	C322—C321—C324	107.3 (2)
C23—C22—C21	115.6 (2)	C323—C321—C32	109.81 (18)
C23—C22—C221	122.0 (2)	C322—C321—C32	111.51 (18)
C21—C22—C221	122.4 (2)	C324—C321—C32	111.48 (19)
C22—C23—C24	124.5 (2)	C321—C322—H32D	109.5
C22—C23—H23	117.7	C321—C322—H32E	109.5
C24—C23—H23	117.7	H32D—C322—H32E	109.5
C25—C24—C23	117.2 (2)	C321—C322—H32F	109.5
C25—C24—C241	123.0 (2)	H32D—C322—H32F	109.5
C23—C24—C241	119.8 (2)	H32E—C322—H32F	109.5
C24—C25—C26	120.6 (2)	C321—C323—H32A	109.5
C24—C25—H25	119.7	C321—C323—H32B	109.5
C26—C25—H25	119.7	H32A—C323—H32B	109.5
C21—C26—C25	120.4 (2)	C321—C323—H32C	109.5
C21—C26—H26	119.8	H32A—C323—H32C	109.5
C25—C26—H26	119.8	H32B—C323—H32C	109.5
C36—C31—O3	121.12 (19)	C321—C324—H32G	109.5
C36—C31—C32	121.78 (19)	C321—C324—H32H	109.5
O3—C31—C32	117.10 (18)	H32G—C324—H32H	109.5
C33—C32—C31	115.55 (19)	C321—C324—H32I	109.5
C33—C32—C321	121.40 (19)	H32G—C324—H32I	109.5
C31—C32—C321	123.02 (19)	H32H—C324—H32I	109.5
C32—C33—C34	124.42 (19)	C342—C341—C34	111.98 (19)
C32—C33—H33	117.8	C342—C341—C344	108.3 (2)
C34—C33—H33	117.8	C34—C341—C344	109.66 (19)
C35—C34—C33	117.45 (19)	C342—C341—C343	108.2 (2)
C35—C34—C341	122.94 (19)	C34—C341—C343	109.11 (19)
C33—C34—C341	119.60 (19)	C344—C341—C343	109.57 (19)
C34—C35—C36	120.5 (2)	C341—C342—H34G	109.5
C34—C35—H35	119.7	C341—C342—H34H	109.5
C36—C35—H35	119.7	H34G—C342—H34H	109.5
C31—C36—C35	120.25 (19)	C341—C342—H34I	109.5
C31—C36—H36	119.9	H34G—C342—H34I	109.5
C35—C36—H36	119.9	H34H—C342—H34I	109.5
C124—C121—C12	111.68 (19)	C341—C343—H34A	109.5
C124—C121—C123	107.6 (2)	C341—C343—H34B	109.5
C12—C121—C123	110.93 (19)	H34A—C343—H34B	109.5
C124—C121—C122	107.3 (2)	C341—C343—H34C	109.5
C12—C121—C122	109.15 (18)	H34A—C343—H34C	109.5
C123—C121—C122	110.1 (2)	H34B—C343—H34C	109.5
C121—C122—H12D	109.5	C341—C344—H34D	109.5
C121—C122—H12E	109.5	C341—C344—H34E	109.5
H12D—C122—H12E	109.5	H34D—C344—H34E	109.5
C121—C122—H12F	109.5	C341—C344—H34F	109.5
H12D—C122—H12F	109.5	H34D—C344—H34F	109.5
H12E—C122—H12F	109.5	H34E—C344—H34F	109.5
C121—C123—H12G	109.5	O6A—C42A—C41A	125.4 (11)
C121—C123—H12H	109.5	O6A—C42A—C40A	133.7 (11)
H12G—C123—H12H	109.5	C41A—C42A—C40A	100.9 (10)
C121—C123—H12I	109.5	C42B—C40B—H40D	109.5
H12G—C123—H12I	109.5	C42B—C40B—H40E	109.5
H12H—C123—H12I	109.5	H40D—C40B—H40E	109.5
C121—C124—H12A	109.5	C42B—C40B—H40F	109.5
C121—C124—H12B	109.5	H40D—C40B—H40F	109.5
H12A—C124—H12B	109.5	H40E—C40B—H40F	109.5
C121—C124—H12C	109.5	C42B—C41B—H41D	109.5
H12A—C124—H12C	109.5	C42B—C41B—H41E	109.5
H12B—C124—H12C	109.5	H41D—C41B—H41E	109.5
C144—C141—C142	108.2 (2)	C42B—C41B—H41F	109.5
C144—C141—C14	111.9 (2)	H41D—C41B—H41F	109.5
C142—C141—C14	109.8 (2)	H41E—C41B—H41F	109.5
C144—C141—C143	108.1 (2)	O6B—C42B—C41B	111.7 (14)
C142—C141—C143	110.7 (2)	O6B—C42B—C40B	126.9 (16)
C14—C141—C143	108.0 (2)	C41B—C42B—C40B	120.6 (14)
C141—C142—H14G	109.5

C10—Rh—P—O3	−153.46 (11)	C26—C21—C22—C23	1.7 (3)
O4—Rh—P—O3	23.54 (9)	O2—C21—C22—C23	−175.38 (19)
C10—Rh—P—O2	82.07 (11)	C26—C21—C22—C221	−178.2 (2)
O4—Rh—P—O2	−100.94 (9)	O2—C21—C22—C221	4.8 (3)
C10—Rh—P—O1	−31.45 (11)	C21—C22—C23—C24	0.1 (3)
O4—Rh—P—O1	145.55 (9)	C221—C22—C23—C24	179.9 (2)
C10—Rh—N—C1	−0.9 (2)	C22—C23—C24—C25	−1.6 (4)
O4—Rh—N—C1	−178.0 (2)	C22—C23—C24—C241	177.8 (2)
C10—Rh—N—C9	173.82 (18)	C23—C24—C25—C26	1.4 (4)
O4—Rh—N—C9	−3.28 (16)	C241—C24—C25—C26	−178.0 (2)
O3—P—O1—C11	85.52 (16)	O2—C21—C26—C25	175.1 (2)
O2—P—O1—C11	−166.97 (15)	C22—C21—C26—C25	−1.9 (4)
Rh—P—O1—C11	−39.12 (17)	C24—C25—C26—C21	0.2 (4)
O3—P—O2—C21	−71.23 (18)	P—O3—C31—C36	7.2 (3)
O1—P—O2—C21	−177.86 (17)	P—O3—C31—C32	−172.61 (15)
Rh—P—O2—C21	55.29 (18)	C36—C31—C32—C33	−1.2 (3)
O2—P—O3—C31	−56.34 (19)	O3—C31—C32—C33	178.63 (18)
O1—P—O3—C31	41.18 (19)	C36—C31—C32—C321	177.0 (2)
Rh—P—O3—C31	171.23 (16)	O3—C31—C32—C321	−3.2 (3)
N—Rh—O4—C8	4.60 (18)	C31—C32—C33—C34	−0.5 (3)
P—Rh—O4—C8	−173.45 (17)	C321—C32—C33—C34	−178.7 (2)
C9—N—C1—C2	0.3 (4)	C32—C33—C34—C35	1.4 (3)
Rh—N—C1—C2	174.70 (19)	C32—C33—C34—C341	−177.7 (2)
N—C1—C2—C3	−0.6 (4)	C33—C34—C35—C36	−0.6 (3)
C1—C2—C3—C4	0.0 (4)	C341—C34—C35—C36	178.4 (2)
C2—C3—C4—C5	−176.4 (3)	O3—C31—C36—C35	−177.84 (19)
C2—C3—C4—C9	0.9 (4)	C32—C31—C36—C35	2.0 (3)
C3—C4—C5—C6	176.9 (3)	C34—C35—C36—C31	−1.0 (3)
C9—C4—C5—C6	−0.4 (5)	C13—C12—C121—C124	−1.4 (3)
C4—C5—C6—C7	0.2 (6)	C11—C12—C121—C124	175.6 (2)
C5—C6—C7—C8	0.1 (6)	C13—C12—C121—C123	118.7 (2)
Rh—O4—C8—C7	173.3 (2)	C11—C12—C121—C123	−64.3 (3)
Rh—O4—C8—C9	−5.3 (3)	C13—C12—C121—C122	−119.8 (2)
C6—C7—C8—O4	−178.8 (3)	C11—C12—C121—C122	57.2 (3)
C6—C7—C8—C9	−0.2 (4)	C15—C14—C141—C144	0.5 (4)
C1—N—C9—C4	0.6 (4)	C13—C14—C141—C144	−179.9 (2)
Rh—N—C9—C4	−174.78 (19)	C15—C14—C141—C142	−119.7 (2)
C1—N—C9—C8	177.0 (2)	C13—C14—C141—C142	59.9 (3)
Rh—N—C9—C8	1.6 (3)	C15—C14—C141—C143	119.5 (2)
C3—C4—C9—N	−1.2 (4)	C13—C14—C141—C143	−60.9 (3)
C5—C4—C9—N	176.3 (2)	C23—C22—C221—C222	−115.8 (3)
C3—C4—C9—C8	−177.3 (2)	C21—C22—C221—C222	64.0 (3)
C5—C4—C9—C8	0.2 (4)	C23—C22—C221—C223	121.5 (2)
O4—C8—C9—N	2.4 (4)	C21—C22—C221—C223	−58.6 (3)
C7—C8—C9—N	−176.2 (2)	C23—C22—C221—C224	2.4 (3)
O4—C8—C9—C4	178.7 (2)	C21—C22—C221—C224	−177.7 (2)
C7—C8—C9—C4	0.1 (4)	C25—C24—C241—C242	−117.7 (3)
P—O1—C11—C16	−31.9 (3)	C23—C24—C241—C242	62.9 (3)
P—O1—C11—C12	149.89 (16)	C25—C24—C241—C243	122.4 (3)
C16—C11—C12—C13	5.4 (3)	C23—C24—C241—C243	−56.9 (3)
O1—C11—C12—C13	−176.45 (18)	C25—C24—C241—C244	2.6 (4)
C16—C11—C12—C121	−171.8 (2)	C23—C24—C241—C244	−176.8 (2)
O1—C11—C12—C121	6.4 (3)	C33—C32—C321—C323	115.2 (2)
C11—C12—C13—C14	−2.0 (3)	C31—C32—C321—C323	−62.9 (3)
C121—C12—C13—C14	175.2 (2)	C33—C32—C321—C322	−123.2 (2)
C12—C13—C14—C15	−1.9 (3)	C31—C32—C321—C322	58.7 (3)
C12—C13—C14—C141	178.4 (2)	C33—C32—C321—C324	−3.3 (3)
C13—C14—C15—C16	2.8 (3)	C31—C32—C321—C324	178.7 (2)
C141—C14—C15—C16	−177.6 (2)	C35—C34—C341—C342	0.8 (3)
O1—C11—C16—C15	177.12 (18)	C33—C34—C341—C342	179.9 (2)
C12—C11—C16—C15	−4.8 (3)	C35—C34—C341—C344	121.1 (2)
C14—C15—C16—C11	0.4 (3)	C33—C34—C341—C344	−59.9 (3)
P—O2—C21—C26	31.7 (3)	C35—C34—C341—C343	−118.9 (2)
P—O2—C21—C22	−151.18 (16)	C33—C34—C341—C343	60.1 (3)

Comparative geometric data (Å, °) for [Rh(OX)(CO)(PR₃)] complexes. top

PR₃	Rh—P	Rh—N	Rh—O	N—Rh—O	Θ_E (°)	¹J_Rh—P (Hz)
P(Obtbp)ⁱ	2.182 (7)	2.084 (2)	2.023 (2)	81.0 (1)	192	279
P(OPh)₃ⁱⁱ	2.186 (1)	2.097 (2)	2.022 (2)	80.8ⁱⁱⁱ	163	281
P(O2MP)₃^iv	2.189 (1)	2.088 (3)	2.032 (3)	81.2 (1)	168	278
P(O2,6DMP)₃^v	2.198 (1)	2.091 (3)	2.029 (3)	80.3 (1)	183	280
PPh₃^vi	2.261 (2)	2.098 (9)	2.042 (5)	80.0 (3)	153	161

References and notes: (i) this work, P(Obtbp) = tris(2,4-di-tert-butylphenyl)phosphite; (ii) Simanko et al. (2000); (iii) data extracted from the Cambridge Structural Database (Version 5.26), no s.u. values (Allen, 2002); (iv) Janse van Rensburg et al. (2005b); (v) Janse van Rensburg et al. (2005a); (vi) Leipoldt et al. (1981).

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