μ-Bis(diphenylphosphino)methane-P:P′-octacarbonyldimanganese(Mn–Mn) and its toluene hemisolvate

The Mn—Mn bonds in the two independent mol­ecules of the unsolvated title compound, [Mn₂(C₂₅H₂₂P₂)(CO)₈], (I), are 2.9714 (7) and 2.9746 (7) Å. This bond is distinctly shortened in the toluene hemisolvate, [Mn₂­(C₂₅­H₂₂P₂)(CO)₈]·­0.5C₇H₈, (II), to 2.9338 (14) Å and this shortening is accompanied by an increase in magnitude of the P—Mn—Mn—P torsion angle [26.93 (3) and 28.44 (3)° in (I), and 33.25 (7)° in (II)], while the P...P `bite' is much less affected [3.092 (2) and 3.099 (2) Å in (I), and 3.091 (3) Å in (II)]. The toluene solvate mol­ecule in (II) lies on a twofold axis.

S1. Comment

The argument is often made that changing the `bite distance' of a bridging ligand in a binuclear compound will change the metal-metal distance. For example, the Rh—Rh bond lengths in [Rh₂(µ-L—L)₂(CO)₂(µ-2,5-dimethylpyrazolatate)]PF₆ are 3.060 (3) and 3.220 (2) Å for L—L = dppm and dpam, respectively [dppm is 1,2-bis(diphenylphosphino)methane and dpam is 1,2-bis(diphenylarsino)methane; Janke et al., 1986]. The difference in the bond lengths was proposed to be largely attributable to the difference in the L—L bite distances. The bite distance is certainly important, but the L—M—M—L dihedral angle is an often overlooked parameter that can affect the metal-metal distance.

The crystal structures here reported for Mn₂(CO)₈(dppm), (I), and Mn₂(CO)₈(dppm).0.5(toluene), (II), illustrate this point. The increase in the P—Mn—Mn—P dihedral angle from (I) to (II) (see Abstract, and Tables 1 and 2) is accompanied by a shortening of the Mn—Mn bond, but the P···P bite distance is almost unchanged. Simple mechanical considerations require that an increase in the dihedral angle for a given bite distance must be accompanied by a decrease in the Mn—Mn bond length. There are no other significant differences in bond lengths, or in the Mn—Mn—P, Mn—P—C, and P—C—P bond angles. Equivalently, Mn₂(CO)₈(dpam) has essentially the same Mn—Mn bond length [2.962 (3) Å)] as (I), but the significantly greater bite distance of dpam [3.242 (2) Å] leads to a greater dihedral angle [30.5 (8)°; Hoskins & Steen, 1983]. \sch

The origin of the structural differences between (I) and (II) is not evident. The energy surface for the molecule is apparently very flat with respect to bond distance and dihedral angle, and crystal-packing forces are presumably important in determining the details of the molecular structure. The differences cannot be directly attributed to the presence of toluene solvate molecules in (II), as there are no significantly short complex···complex or complex···solvent contacts in either compound.

Related literature

For related literature, see: Altomare et al. (1994); Colton & Commons (1975); Hoskins & Steen (1983); Janke et al. (1986).

S2. Experimental

The title compounds were prepared according to the method of Colton & Commons (1975). Compound (I) was recrystallized from ethanol and (II) from toluene by evaporation under N₂. Axial photographs of (II) confirmed that the Laue symmetry is 4/mmm.

S3. Refinement

Cell-reduction calculations for (I), and examination of the atomic coordinates and extended packing diagrams, failed to show any overlooked symmetry elements relating the two independent molecules. For both compounds, a SIR92 electron-density map (Altomare et al., 1994) showed all non-H atoms, and refinement was on F² with net negative intensities reset at zero. H atoms [other than those of the toluene methyl group in (II)] were included at calculated positions, with C—H = 0.95 Å and U_iso(H) = 1.2U_eq(C). Refinement of the structure of (II) of opposite polarity (x,y,z → x,1/2 + y,-z) converged to slightly greater residuals [R(F) 0.048, I>σ(I), and wR(F²) 0.083, goodness of fit 1.39, all data].

Computing details

For both compounds, data collection: CAD-4-PC Software (Enraf-Nonius, 1993); cell refinement: CAD-4-PC Software; data reduction: TEXSAN (Molecular Structure Corporation, 1997); program(s) used to solve structure: TEXSAN; program(s) used to refine structure: TEXSAN; software used to prepare material for publication: TEXSAN.

Figures

	Fig. 1. The two independent molecules in the unsolvated compound, (I), with 30% probability displacement ellipsoids and the atom-numbering scheme. H atoms are drawn as small spheres of arbitrary radii.
	Fig. 2. The [Mn2(CO)8(dppm)] molecule in the toluene hemisolvate, (II), with 30% probability displacement ellipsoids and the atom-numbering scheme. H atoms are drawn as small spheres of arbitrary radii.

(I) µ-Bis(diphenylphosphino)methane-P:P'-octacarbonyldimanganese(Mn—Mn)

Crystal data

[Mn2(CO)8(C25H22P2)]	Z = 4
Mr = 718.36	F(000) = 1456.00
Triclinic, P1	Dx = 1.493 Mg m^−3
Hall symbol: -P 1	Mo Kα radiation, λ = 0.71073 Å
a = 12.6428 (13) Å	Cell parameters from 25 reflections
b = 15.351 (4) Å	θ = 12.6–13.9°
c = 17.868 (8) Å	µ = 0.94 mm^−1
α = 111.91 (3)°	T = 296 K
β = 94.05 (3)°	Plate, yellow
γ = 90.48 (2)°	0.40 × 0.20 × 0.05 mm
V = 3207 (2) Å^3

Data collection

Enraf-Nonius CAD-4 diffractometer	8260 reflections with I > σ(I)
Radiation source: sealed X-ray tube	Rint = 0.021
Graphite monochromator	θmax = 25.0°, θmin = 1.5°
ω/2θ scans	h = 0→15
Absorption correction: analytical (de Meulenaer & Tompa, 1965)	k = −18→18
Tmin = 0.763, Tmax = 0.958	l = −21→21
11815 measured reflections	3 standard reflections every 60 min
11243 independent reflections	intensity decay: 4.5%

Refinement

Refinement on F^2	0 restraints
Least-squares matrix: full	H-atom parameters constrained
R[F^2 > 2σ(F^2)] = 0.041	w = 4Fo^2/[σ^2(I) + (0.02I)^2]
wR(F^2) = 0.044	(Δ/σ)max = 0.025
S = 1.40	Δρmax = 0.47 e Å^−3
11243 reflections	Δρmin = −0.46 e Å^−3
811 parameters

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Ų)

	x	y	z	Uiso*/Ueq
Mn1	0.63360 (4)	0.57371 (3)	0.80651 (3)	0.04516 (14)
Mn2	0.44401 (4)	0.65114 (3)	0.74851 (3)	0.04396 (14)
Mn3	−0.08395 (4)	0.06356 (3)	0.80698 (3)	0.04845 (15)
Mn4	0.09363 (4)	0.14851 (3)	0.75367 (3)	0.04508 (14)
P1	0.57609 (6)	0.42131 (6)	0.73063 (5)	0.0400 (2)
P2	0.35764 (6)	0.51136 (6)	0.73066 (5)	0.0400 (2)
P3	−0.04169 (6)	−0.08571 (6)	0.72499 (5)	0.0403 (2)
P4	0.17740 (6)	0.00971 (6)	0.73295 (5)	0.0413 (2)
O1	0.8332 (2)	0.5116 (2)	0.86144 (17)	0.0808 (10)
O2	0.6966 (2)	0.7728 (2)	0.90398 (19)	0.0961 (11)
O3	0.5216 (2)	0.57678 (19)	0.94876 (15)	0.0709 (9)
O4	0.7370 (2)	0.5905 (2)	0.66782 (17)	0.0805 (10)
O5	0.2512 (2)	0.72442 (18)	0.69519 (15)	0.0703 (9)
O6	0.5637 (3)	0.8247 (2)	0.76701 (19)	0.0966 (12)
O7	0.4136 (2)	0.74067 (18)	0.92422 (15)	0.0736 (9)
O8	0.5188 (2)	0.57306 (19)	0.58306 (15)	0.0709 (9)
O9	−0.2759 (2)	−0.0019 (2)	0.85668 (19)	0.0961 (12)
O10	−0.1215 (3)	0.2597 (2)	0.9120 (2)	0.1146 (12)
O11	0.0505 (2)	0.0583 (2)	0.94934 (16)	0.0793 (10)
O12	−0.2142 (2)	0.0886 (2)	0.67140 (18)	0.0861 (11)
O13	0.2786 (2)	0.22626 (18)	0.70636 (16)	0.0738 (9)
O14	−0.0223 (3)	0.3214 (2)	0.77422 (19)	0.1001 (12)
O15	0.1545 (2)	0.23252 (18)	0.93124 (16)	0.0758 (9)
O16	−0.0099 (2)	0.07432 (19)	0.58648 (15)	0.0708 (9)
C1	0.7539 (3)	0.5345 (3)	0.8402 (2)	0.0561 (11)
C2	0.6713 (3)	0.6973 (3)	0.8654 (2)	0.0639 (12)
C3	0.5602 (3)	0.5741 (2)	0.8922 (2)	0.0535 (11)
C4	0.6935 (3)	0.5831 (2)	0.7188 (2)	0.0542 (11)
C5	0.3255 (3)	0.6950 (2)	0.71693 (19)	0.0499 (10)
C6	0.5198 (3)	0.7573 (3)	0.7612 (2)	0.0627 (12)
C7	0.4255 (3)	0.7022 (2)	0.8576 (2)	0.0516 (10)
C8	0.4917 (3)	0.5992 (2)	0.6477 (2)	0.0498 (10)
C9	−0.1992 (3)	0.0217 (3)	0.8372 (2)	0.0641 (12)
C10	−0.1065 (3)	0.1844 (3)	0.8704 (3)	0.0733 (13)
C11	0.0030 (3)	0.0579 (2)	0.8923 (2)	0.0579 (11)
C12	−0.1605 (3)	0.0788 (3)	0.7218 (2)	0.0597 (12)
C13	0.2067 (3)	0.1959 (2)	0.7259 (2)	0.0520 (10)
C14	0.0204 (3)	0.2542 (3)	0.7672 (2)	0.0637 (12)
C15	0.1316 (3)	0.1960 (2)	0.8640 (2)	0.0555 (11)
C16	0.0282 (3)	0.0987 (2)	0.6515 (2)	0.0515 (11)
C17	0.4378 (2)	0.4082 (2)	0.68657 (17)	0.0420 (9)
C18	0.5793 (2)	0.3338 (2)	0.7781 (2)	0.0461 (10)
C19	0.5451 (3)	0.2422 (3)	0.7325 (2)	0.0614 (12)
C20	0.5455 (3)	0.1747 (3)	0.7671 (3)	0.0775 (15)
C21	0.5802 (3)	0.1988 (4)	0.8464 (3)	0.0836 (18)
C22	0.6154 (3)	0.2882 (4)	0.8920 (3)	0.0772 (16)
C23	0.6156 (3)	0.3565 (3)	0.8585 (2)	0.0579 (11)
C24	0.6514 (2)	0.3614 (2)	0.64272 (18)	0.0451 (9)
C25	0.7421 (3)	0.3159 (3)	0.6536 (2)	0.0603 (12)
C26	0.8032 (3)	0.2729 (3)	0.5895 (3)	0.0733 (14)
C27	0.7760 (4)	0.2763 (3)	0.5158 (3)	0.0766 (14)
C28	0.6879 (4)	0.3210 (3)	0.5041 (2)	0.0798 (15)
C29	0.6261 (3)	0.3641 (3)	0.5676 (2)	0.0646 (12)
C30	0.3036 (2)	0.5020 (2)	0.81872 (18)	0.0461 (9)
C31	0.3279 (3)	0.4316 (3)	0.8475 (2)	0.0576 (11)
C32	0.2781 (3)	0.4269 (4)	0.9125 (3)	0.0814 (16)
C33	0.2046 (4)	0.4911 (5)	0.9482 (3)	0.0942 (18)
C34	0.1807 (3)	0.5610 (4)	0.9212 (3)	0.0876 (16)
C35	0.2305 (3)	0.5672 (3)	0.8573 (2)	0.0630 (12)
C36	0.2413 (2)	0.4741 (2)	0.65634 (18)	0.0446 (9)
C37	0.1527 (3)	0.4305 (3)	0.6687 (2)	0.0598 (11)
C38	0.0677 (3)	0.4019 (3)	0.6108 (3)	0.0770 (14)
C39	0.0711 (3)	0.4141 (3)	0.5396 (3)	0.0762 (14)
C40	0.1593 (3)	0.4558 (3)	0.5251 (2)	0.0774 (14)
C41	0.2443 (3)	0.4863 (3)	0.5832 (2)	0.0633 (12)
C42	0.0885 (2)	−0.0935 (2)	0.68320 (17)	0.0420 (9)
C43	−0.0368 (2)	−0.1802 (2)	0.76440 (19)	0.0454 (9)
C44	−0.0581 (3)	−0.1674 (3)	0.8425 (2)	0.0614 (12)
C45	−0.0510 (3)	−0.2423 (3)	0.8682 (3)	0.0772 (15)
C46	−0.0227 (3)	−0.3276 (3)	0.8177 (3)	0.0796 (16)
C47	−0.0022 (3)	−0.3421 (3)	0.7403 (3)	0.0742 (14)
C48	−0.0095 (3)	−0.2690 (2)	0.7131 (2)	0.0574 (11)
C49	−0.1348 (2)	−0.1410 (2)	0.63565 (19)	0.0456 (9)
C50	−0.2265 (3)	−0.1839 (3)	0.6448 (2)	0.0637 (12)
C51	−0.3025 (3)	−0.2236 (3)	0.5811 (3)	0.0776 (14)
C52	−0.2884 (4)	−0.2196 (3)	0.5078 (3)	0.0783 (14)
C53	−0.1988 (4)	−0.1769 (3)	0.4977 (2)	0.0802 (15)
C54	−0.1213 (3)	−0.1375 (3)	0.5608 (2)	0.0650 (12)
C55	0.2442 (2)	−0.0030 (2)	0.82202 (18)	0.0472 (10)
C56	0.3229 (3)	0.0649 (3)	0.8657 (2)	0.0617 (12)
C57	0.3755 (3)	0.0608 (3)	0.9344 (3)	0.0799 (14)
C58	0.3504 (4)	−0.0104 (4)	0.9597 (3)	0.0872 (17)
C59	0.2736 (3)	−0.0773 (3)	0.9182 (3)	0.0786 (16)
C60	0.2212 (3)	−0.0751 (3)	0.8473 (2)	0.0596 (12)
C61	0.2811 (2)	−0.0215 (2)	0.66161 (19)	0.0464 (10)
C62	0.2641 (3)	−0.0103 (3)	0.5880 (2)	0.0650 (12)
C63	0.3388 (4)	−0.0358 (3)	0.5316 (2)	0.0780 (15)
C64	0.4313 (4)	−0.0729 (3)	0.5481 (3)	0.0834 (16)
C65	0.4504 (3)	−0.0839 (3)	0.6200 (3)	0.0813 (15)
C66	0.3754 (3)	−0.0592 (3)	0.6767 (2)	0.0630 (12)
H1	0.4389	0.3953	0.6303	0.050*
H2	0.4047	0.3565	0.6940	0.050*
H3	0.5212	0.2253	0.6771	0.074*
H4	0.5217	0.1119	0.7355	0.093*
H5	0.5797	0.1528	0.8702	0.100*
H6	0.6401	0.3040	0.9471	0.093*
H7	0.6405	0.4188	0.8906	0.070*
H8	0.7623	0.3143	0.7052	0.072*
H9	0.8645	0.2409	0.5971	0.088*
H10	0.8189	0.2473	0.4722	0.092*
H11	0.6687	0.3226	0.4523	0.096*
H12	0.5652	0.3961	0.5592	0.078*
H13	0.3786	0.3867	0.8227	0.069*
H14	0.2950	0.3789	0.9323	0.098*
H15	0.1699	0.4867	0.9922	0.113*
H16	0.1298	0.6055	0.9464	0.105*
H17	0.2145	0.6169	0.8394	0.076*
H18	0.1497	0.4198	0.7176	0.072*
H19	0.0062	0.3734	0.6210	0.092*
H20	0.0126	0.3938	0.5000	0.091*
H21	0.1622	0.4639	0.4751	0.093*
H22	0.3050	0.5157	0.5729	0.076*
H23	0.1225	−0.1464	0.6879	0.050*
H24	0.0770	−0.1025	0.6277	0.050*
H25	−0.0776	−0.1076	0.8785	0.074*
H26	−0.0662	−0.2334	0.9218	0.093*
H27	−0.0171	−0.3779	0.8364	0.095*
H28	0.0170	−0.4024	0.7051	0.089*
H29	0.0042	−0.2795	0.6589	0.069*
H30	−0.2377	−0.1864	0.6960	0.076*
H31	−0.3646	−0.2536	0.5885	0.093*
H32	−0.3407	−0.2464	0.4640	0.094*
H33	−0.1891	−0.1741	0.4464	0.096*
H34	−0.0591	−0.1082	0.5526	0.078*
H35	0.3401	0.1141	0.8481	0.074*
H36	0.4290	0.1070	0.9641	0.096*
H37	0.3871	−0.0131	1.0070	0.105*
H38	0.2558	−0.1251	0.9373	0.094*
H39	0.1700	−0.1232	0.8167	0.071*
H40	0.1999	0.0154	0.5763	0.078*
H41	0.3260	−0.0276	0.4817	0.094*
H42	0.4826	−0.0911	0.5093	0.100*
H43	0.5154	−0.1087	0.6314	0.098*
H44	0.3890	−0.0682	0.7262	0.076*

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
Mn1	0.0455 (3)	0.0485 (3)	0.0396 (3)	0.0002 (2)	−0.0017 (2)	0.0153 (2)
Mn2	0.0493 (3)	0.0428 (3)	0.0413 (3)	0.0022 (2)	0.0013 (2)	0.0179 (2)
Mn3	0.0525 (3)	0.0465 (3)	0.0431 (3)	0.0072 (2)	0.0147 (2)	0.0110 (2)
Mn4	0.0518 (3)	0.0411 (3)	0.0435 (3)	0.0050 (2)	0.0059 (2)	0.0166 (2)
P1	0.0417 (4)	0.0449 (5)	0.0351 (4)	0.0037 (4)	0.0024 (3)	0.0171 (4)
P2	0.0414 (4)	0.0427 (5)	0.0366 (4)	0.0027 (4)	0.0001 (3)	0.0160 (4)
P3	0.0454 (5)	0.0415 (5)	0.0346 (4)	0.0029 (4)	0.0083 (3)	0.0142 (4)
P4	0.0444 (4)	0.0424 (5)	0.0392 (5)	0.0038 (4)	0.0077 (4)	0.0169 (4)
O1	0.0521 (16)	0.118 (2)	0.094 (2)	0.0061 (15)	−0.0038 (14)	0.0663 (19)
O2	0.090 (2)	0.0612 (19)	0.103 (2)	−0.0116 (16)	−0.0142 (17)	−0.0046 (17)
O3	0.0735 (17)	0.098 (2)	0.0443 (15)	0.0142 (14)	0.0128 (13)	0.0283 (15)
O4	0.0777 (19)	0.106 (2)	0.0714 (19)	−0.0118 (16)	0.0138 (15)	0.0479 (17)
O5	0.0696 (17)	0.0767 (18)	0.0698 (18)	0.0266 (14)	0.0060 (13)	0.0330 (15)
O6	0.112 (2)	0.077 (2)	0.108 (3)	−0.0340 (18)	−0.0061 (19)	0.0458 (19)
O7	0.102 (2)	0.0667 (17)	0.0443 (15)	0.0144 (15)	0.0044 (14)	0.0122 (13)
O8	0.0802 (18)	0.0849 (19)	0.0475 (16)	0.0113 (14)	0.0109 (13)	0.0236 (14)
O9	0.080 (2)	0.104 (2)	0.109 (3)	−0.0028 (17)	0.0463 (18)	0.039 (2)
O10	0.113 (3)	0.066 (2)	0.123 (3)	0.0225 (18)	0.037 (2)	−0.0175 (19)
O11	0.097 (2)	0.090 (2)	0.0460 (16)	−0.0009 (16)	0.0008 (15)	0.0215 (15)
O12	0.080 (2)	0.103 (2)	0.085 (2)	0.0263 (17)	0.0028 (16)	0.0472 (19)
O13	0.0745 (18)	0.0730 (18)	0.0761 (19)	−0.0204 (14)	0.0061 (14)	0.0308 (15)
O14	0.124 (3)	0.075 (2)	0.105 (3)	0.0461 (19)	0.0145 (19)	0.0359 (18)
O15	0.104 (2)	0.0704 (18)	0.0448 (16)	−0.0045 (15)	0.0028 (14)	0.0130 (14)
O16	0.0797 (18)	0.0833 (19)	0.0473 (16)	0.0035 (14)	−0.0026 (13)	0.0235 (14)
C1	0.053 (2)	0.072 (3)	0.049 (2)	−0.0061 (18)	0.0022 (16)	0.0292 (19)
C2	0.057 (2)	0.062 (3)	0.058 (2)	0.0046 (19)	−0.0050 (18)	0.008 (2)
C3	0.051 (2)	0.060 (2)	0.046 (2)	0.0063 (16)	−0.0040 (16)	0.0172 (18)
C4	0.053 (2)	0.057 (2)	0.053 (2)	−0.0051 (16)	−0.0005 (17)	0.0218 (18)
C5	0.062 (2)	0.048 (2)	0.0402 (19)	0.0054 (16)	0.0085 (16)	0.0155 (16)
C6	0.072 (3)	0.062 (3)	0.058 (2)	−0.002 (2)	0.0010 (19)	0.027 (2)
C7	0.063 (2)	0.0426 (19)	0.048 (2)	0.0018 (16)	−0.0020 (17)	0.0164 (17)
C8	0.0502 (19)	0.049 (2)	0.053 (2)	0.0042 (15)	0.0021 (16)	0.0221 (17)
C9	0.069 (3)	0.064 (2)	0.059 (2)	0.0087 (19)	0.0226 (19)	0.0181 (19)
C10	0.067 (3)	0.065 (3)	0.074 (3)	0.010 (2)	0.021 (2)	0.007 (2)
C11	0.066 (2)	0.056 (2)	0.045 (2)	0.0001 (17)	0.0172 (18)	0.0087 (18)
C12	0.063 (2)	0.054 (2)	0.064 (3)	0.0166 (18)	0.0173 (19)	0.0211 (19)
C13	0.062 (2)	0.0437 (19)	0.049 (2)	−0.0027 (16)	−0.0021 (17)	0.0175 (16)
C14	0.078 (3)	0.057 (2)	0.055 (2)	0.013 (2)	0.0071 (19)	0.0195 (19)
C15	0.064 (2)	0.047 (2)	0.058 (2)	0.0057 (17)	0.0119 (18)	0.0209 (19)
C16	0.056 (2)	0.046 (2)	0.054 (2)	0.0072 (16)	0.0100 (17)	0.0195 (17)
C17	0.0440 (17)	0.0445 (18)	0.0348 (17)	0.0022 (14)	−0.0005 (13)	0.0123 (14)
C18	0.0406 (17)	0.054 (2)	0.053 (2)	0.0090 (15)	0.0091 (15)	0.0302 (17)
C19	0.062 (2)	0.057 (2)	0.072 (3)	0.0046 (18)	0.0053 (19)	0.032 (2)
C20	0.077 (3)	0.061 (3)	0.107 (4)	0.000 (2)	0.008 (3)	0.045 (3)
C21	0.071 (3)	0.100 (4)	0.119 (4)	0.016 (3)	0.023 (3)	0.083 (4)
C22	0.076 (3)	0.105 (4)	0.075 (3)	0.017 (3)	0.012 (2)	0.061 (3)
C23	0.059 (2)	0.074 (3)	0.054 (2)	0.0100 (18)	0.0059 (17)	0.038 (2)
C24	0.0463 (18)	0.0477 (19)	0.0412 (18)	0.0040 (15)	0.0082 (14)	0.0156 (15)
C25	0.053 (2)	0.075 (3)	0.059 (2)	0.0095 (18)	0.0092 (17)	0.030 (2)
C26	0.059 (2)	0.083 (3)	0.082 (3)	0.020 (2)	0.024 (2)	0.032 (3)
C27	0.091 (3)	0.067 (3)	0.072 (3)	0.016 (2)	0.042 (2)	0.019 (2)
C28	0.117 (4)	0.078 (3)	0.052 (2)	0.028 (3)	0.034 (2)	0.029 (2)
C29	0.084 (3)	0.066 (3)	0.050 (2)	0.028 (2)	0.0193 (19)	0.0255 (19)
C30	0.0445 (18)	0.056 (2)	0.0362 (17)	−0.0061 (15)	−0.0017 (14)	0.0161 (16)
C31	0.055 (2)	0.073 (3)	0.051 (2)	−0.0124 (18)	−0.0063 (16)	0.0311 (19)
C32	0.073 (3)	0.121 (4)	0.070 (3)	−0.025 (3)	−0.011 (2)	0.062 (3)
C33	0.081 (3)	0.156 (5)	0.046 (3)	−0.025 (3)	0.005 (2)	0.039 (3)
C34	0.077 (3)	0.116 (4)	0.053 (3)	0.002 (3)	0.020 (2)	0.009 (3)
C35	0.066 (2)	0.068 (3)	0.051 (2)	0.0070 (19)	0.0127 (18)	0.0151 (19)
C36	0.0440 (18)	0.0417 (18)	0.0452 (19)	0.0064 (14)	−0.0039 (14)	0.0143 (15)
C37	0.057 (2)	0.065 (2)	0.057 (2)	−0.0045 (18)	−0.0073 (17)	0.0245 (19)
C38	0.057 (2)	0.079 (3)	0.087 (3)	−0.016 (2)	−0.014 (2)	0.026 (3)
C39	0.068 (3)	0.079 (3)	0.067 (3)	0.002 (2)	−0.024 (2)	0.016 (2)
C40	0.082 (3)	0.093 (3)	0.053 (2)	0.006 (2)	−0.016 (2)	0.027 (2)
C41	0.059 (2)	0.081 (3)	0.052 (2)	−0.0024 (19)	−0.0086 (17)	0.029 (2)
C42	0.0467 (18)	0.0437 (18)	0.0365 (17)	0.0051 (14)	0.0081 (13)	0.0152 (14)
C43	0.0418 (17)	0.050 (2)	0.048 (2)	−0.0029 (14)	0.0013 (14)	0.0238 (16)
C44	0.071 (2)	0.067 (2)	0.052 (2)	−0.0031 (19)	0.0072 (18)	0.0291 (19)
C45	0.084 (3)	0.093 (3)	0.077 (3)	−0.005 (3)	0.005 (2)	0.059 (3)
C46	0.068 (3)	0.082 (3)	0.119 (4)	−0.003 (2)	0.004 (3)	0.073 (3)
C47	0.071 (3)	0.054 (2)	0.107 (4)	0.0054 (19)	0.011 (2)	0.040 (3)
C48	0.063 (2)	0.050 (2)	0.063 (2)	0.0008 (17)	0.0095 (18)	0.0243 (19)
C49	0.0493 (19)	0.0393 (18)	0.0461 (19)	0.0046 (14)	0.0011 (15)	0.0142 (15)
C50	0.052 (2)	0.078 (3)	0.059 (2)	−0.0005 (19)	0.0034 (17)	0.023 (2)
C51	0.058 (2)	0.081 (3)	0.084 (3)	−0.008 (2)	−0.011 (2)	0.024 (3)
C52	0.087 (3)	0.061 (3)	0.072 (3)	−0.005 (2)	−0.036 (2)	0.015 (2)
C53	0.114 (4)	0.072 (3)	0.051 (2)	−0.011 (3)	−0.019 (2)	0.023 (2)
C54	0.082 (3)	0.064 (2)	0.051 (2)	−0.014 (2)	−0.0077 (19)	0.0272 (19)
C55	0.0485 (19)	0.054 (2)	0.0389 (18)	0.0120 (15)	0.0076 (14)	0.0160 (16)
C56	0.061 (2)	0.065 (2)	0.053 (2)	0.0030 (18)	−0.0012 (18)	0.0162 (19)
C57	0.068 (3)	0.097 (3)	0.058 (3)	0.007 (2)	−0.012 (2)	0.014 (2)
C58	0.077 (3)	0.135 (5)	0.056 (3)	0.026 (3)	−0.001 (2)	0.044 (3)
C59	0.076 (3)	0.112 (4)	0.070 (3)	0.022 (3)	0.012 (2)	0.059 (3)
C60	0.061 (2)	0.068 (3)	0.056 (2)	0.0134 (18)	0.0082 (17)	0.031 (2)
C61	0.0477 (19)	0.0442 (18)	0.049 (2)	0.0017 (14)	0.0145 (15)	0.0176 (16)
C62	0.063 (2)	0.080 (3)	0.060 (2)	0.0113 (19)	0.0193 (19)	0.034 (2)
C63	0.089 (3)	0.092 (3)	0.065 (3)	0.011 (3)	0.033 (2)	0.039 (2)
C64	0.081 (3)	0.082 (3)	0.095 (3)	0.014 (2)	0.050 (3)	0.034 (3)
C65	0.064 (3)	0.091 (3)	0.095 (3)	0.028 (2)	0.030 (2)	0.038 (3)
C66	0.060 (2)	0.069 (3)	0.065 (2)	0.0151 (19)	0.0197 (19)	0.028 (2)

Geometric parameters (Å, º)

Mn1—Mn2	2.9746 (7)	C28—C29	1.382 (5)
Mn1—P1	2.3033 (9)	C28—H11	0.95
Mn1—C1	1.788 (4)	C29—H12	0.95
Mn1—C2	1.832 (4)	C30—C31	1.387 (4)
Mn1—C3	1.844 (4)	C30—C35	1.387 (5)
Mn1—C4	1.840 (4)	C31—C32	1.383 (5)
Mn2—P2	2.3020 (9)	C31—H13	0.95
Mn2—C5	1.788 (4)	C32—C33	1.368 (7)
Mn2—C6	1.814 (4)	C32—H14	0.95
Mn2—C7	1.842 (4)	C33—C34	1.359 (7)
Mn2—C8	1.827 (4)	C33—H15	0.95
Mn3—Mn4	2.9714 (7)	C34—C35	1.374 (5)
Mn3—P3	2.3039 (9)	C34—H16	0.95
Mn3—C9	1.784 (4)	C35—H17	0.95
Mn3—C10	1.815 (4)	C36—C37	1.373 (4)
Mn3—C11	1.844 (4)	C36—C41	1.391 (4)
Mn3—C12	1.836 (4)	C37—C38	1.383 (5)
Mn4—P4	2.3028 (9)	C37—H18	0.95
Mn4—C13	1.781 (4)	C38—C39	1.357 (6)
Mn4—C14	1.820 (4)	C38—H19	0.95
Mn4—C15	1.854 (4)	C39—C40	1.367 (6)
Mn4—C16	1.827 (4)	C39—H20	0.95
P1—C17	1.844 (3)	C40—C41	1.386 (5)
P1—C18	1.837 (3)	C40—H21	0.95
P1—C24	1.835 (3)	C41—H22	0.95
P2—C17	1.834 (3)	C42—H23	0.95
P2—C30	1.812 (3)	C42—H24	0.95
P2—C36	1.843 (3)	C43—C44	1.382 (4)
P3—C42	1.842 (3)	C43—C48	1.392 (4)
P3—C43	1.833 (3)	C44—C45	1.388 (5)
P3—C49	1.833 (3)	C44—H25	0.95
P4—C42	1.828 (3)	C45—C46	1.353 (6)
P4—C55	1.824 (3)	C45—H26	0.95
P4—C61	1.834 (3)	C46—C47	1.359 (6)
O1—C1	1.150 (4)	C46—H27	0.95
O2—C2	1.135 (4)	C47—C48	1.381 (5)
O3—C3	1.140 (4)	C47—H28	0.95
O4—C4	1.136 (4)	C48—H29	0.95
O5—C5	1.151 (4)	C49—C50	1.378 (5)
O6—C6	1.137 (4)	C49—C54	1.381 (5)
O7—C7	1.137 (4)	C50—C51	1.381 (5)
O8—C8	1.150 (4)	C50—H30	0.95
O9—C9	1.153 (4)	C51—C52	1.357 (6)
O10—C10	1.143 (4)	C51—H31	0.95
O11—C11	1.144 (4)	C52—C53	1.361 (6)
O12—C12	1.145 (4)	C52—H32	0.95
O13—C13	1.151 (4)	C53—C54	1.386 (5)
O14—C14	1.138 (4)	C53—H33	0.95
O15—C15	1.135 (4)	C54—H34	0.95
O16—C16	1.147 (4)	C55—C56	1.397 (5)
C17—H1	0.95	C55—C60	1.379 (5)
C17—H2	0.95	C56—C57	1.376 (5)
C18—C19	1.383 (5)	C56—H35	0.95
C18—C23	1.388 (4)	C57—C58	1.372 (6)
C19—C20	1.391 (5)	C57—H36	0.95
C19—H3	0.95	C58—C59	1.363 (6)
C20—C21	1.362 (6)	C58—H37	0.95
C20—H4	0.95	C59—C60	1.399 (5)
C21—C22	1.360 (6)	C59—H38	0.95
C21—H5	0.95	C60—H39	0.95
C22—C23	1.387 (5)	C61—C62	1.390 (5)
C22—H6	0.95	C61—C66	1.382 (4)
C23—H7	0.95	C62—C63	1.381 (5)
C24—C25	1.386 (4)	C62—H40	0.95
C24—C29	1.373 (4)	C63—C64	1.366 (6)
C25—C26	1.383 (5)	C63—H41	0.95
C25—H8	0.95	C64—C65	1.362 (6)
C26—C27	1.358 (5)	C64—H42	0.95
C26—H9	0.95	C65—C66	1.386 (5)
C27—C28	1.357 (6)	C65—H43	0.95
C27—H10	0.95	C66—H44	0.95
O1···O14^i	3.375 (4)	O6···C50^ii	3.526 (5)
O1···C46^ii	3.405 (5)	O7···C59^v	3.352 (5)
O1···C33^iii	3.484 (5)	O7···C22^iii	3.517 (5)
O2···C57^iii	3.257 (5)	O8···O8^iv	2.980 (5)
O2···C45^ii	3.292 (5)	O8···C29^iv	3.579 (4)
O2···O15^iii	3.408 (4)	O9···C58^vi	3.416 (5)
O2···C44^ii	3.585 (5)	O10···C34^vii	3.353 (5)
O3···C22^iii	3.428 (5)	O10···C22^viii	3.370 (5)
O3···C32^iii	3.433 (5)	O11···O11^vi	3.290 (6)
O3···O3^iii	3.542 (5)	O11···C45^vi	3.425 (6)
O4···C47^ii	3.458 (5)	O11···C44^vi	3.456 (4)
O4···C40^iv	3.597 (5)	O13···C31	3.240 (4)
O5···C60^v	3.305 (4)	O13···C19	3.363 (4)
O5···C48^v	3.333 (4)	O13···C53^ix	3.506 (5)
O5···C28^iv	3.508 (4)	O13···C17	3.566 (4)
O5···C42^v	3.545 (4)	O14···C25^viii	3.533 (5)
O5···C47^v	3.590 (5)	O15···C32	3.493 (5)
O6···O9^ii	3.167 (4)	O16···O16^ix	3.111 (5)
Mn2—Mn1—P1	92.17 (3)	C24—C25—H8	119.8
Mn2—Mn1—C1	175.32 (11)	C26—C25—H8	119.8
Mn2—Mn1—C2	84.37 (11)	C25—C26—C27	120.3 (4)
Mn2—Mn1—C3	88.25 (10)	C25—C26—H9	119.9
Mn2—Mn1—C4	84.58 (10)	C27—C26—H9	119.9
P1—Mn1—C1	91.25 (12)	C26—C27—C28	120.3 (4)
P1—Mn1—C2	176.48 (11)	C26—C27—H10	119.9
P1—Mn1—C3	91.39 (11)	C28—C27—H10	119.9
P1—Mn1—C4	90.70 (11)	C27—C28—C29	119.9 (4)
C1—Mn1—C2	92.24 (16)	C27—C28—H11	120.0
C1—Mn1—C3	94.87 (14)	C29—C28—H11	120.0
C1—Mn1—C4	92.18 (15)	C24—C29—C28	121.1 (3)
C2—Mn1—C3	87.89 (16)	C24—C29—H12	119.5
C2—Mn1—C4	89.60 (16)	C28—C29—H12	119.5
C3—Mn1—C4	172.60 (15)	P2—C30—C31	123.9 (3)
Mn1—Mn2—P2	86.17 (3)	P2—C30—C35	117.6 (3)
Mn1—Mn2—C5	176.71 (11)	C31—C30—C35	118.5 (3)
Mn1—Mn2—C6	90.71 (12)	C30—C31—C32	119.9 (4)
Mn1—Mn2—C7	82.06 (10)	C30—C31—H13	120.1
Mn1—Mn2—C8	86.63 (10)	C32—C31—H13	120.1
P2—Mn2—C5	91.40 (11)	C31—C32—C33	120.3 (4)
P2—Mn2—C6	176.38 (12)	C31—C32—H14	119.9
P2—Mn2—C7	93.32 (11)	C33—C32—H14	119.9
P2—Mn2—C8	90.46 (10)	C32—C33—C34	120.6 (4)
C5—Mn2—C6	91.79 (16)	C32—C33—H15	119.7
C5—Mn2—C7	95.89 (14)	C34—C33—H15	119.7
C5—Mn2—C8	95.61 (14)	C33—C34—C35	119.8 (4)
C6—Mn2—C7	88.07 (16)	C33—C34—H16	120.1
C6—Mn2—C8	87.52 (16)	C35—C34—H16	120.1
C7—Mn2—C8	167.80 (14)	C30—C35—C34	121.0 (4)
Mn4—Mn3—P3	91.58 (3)	C30—C35—H17	119.5
Mn4—Mn3—C9	173.93 (12)	C34—C35—H17	119.5
Mn4—Mn3—C10	83.89 (13)	P2—C36—C37	122.5 (3)
Mn4—Mn3—C11	90.51 (11)	P2—C36—C41	119.4 (3)
Mn4—Mn3—C12	83.80 (12)	C37—C36—C41	118.1 (3)
P3—Mn3—C9	92.57 (12)	C36—C37—C38	120.8 (4)
P3—Mn3—C10	175.30 (13)	C36—C37—H18	119.6
P3—Mn3—C11	91.51 (11)	C38—C37—H18	119.6
P3—Mn3—C12	90.80 (11)	C37—C38—C39	120.7 (4)
C9—Mn3—C10	92.04 (17)	C37—C38—H19	119.6
C9—Mn3—C11	93.81 (16)	C39—C38—H19	119.6
C9—Mn3—C12	91.71 (17)	C38—C39—C40	119.7 (4)
C10—Mn3—C11	87.27 (17)	C38—C39—H20	120.2
C10—Mn3—C12	89.98 (17)	C40—C39—H20	120.2
C11—Mn3—C12	173.92 (16)	C39—C40—C41	120.2 (4)
Mn3—Mn4—P4	86.09 (3)	C39—C40—H21	119.9
Mn3—Mn4—C13	175.71 (11)	C41—C40—H21	119.9
Mn3—Mn4—C14	91.53 (12)	C36—C41—C40	120.5 (4)
Mn3—Mn4—C15	81.11 (11)	C36—C41—H22	119.8
Mn3—Mn4—C16	87.43 (10)	C40—C41—H22	119.8
P4—Mn4—C13	90.75 (11)	P3—C42—P4	114.80 (16)
P4—Mn4—C14	176.67 (12)	P3—C42—H23	108.1
P4—Mn4—C15	93.21 (10)	P3—C42—H24	108.1
P4—Mn4—C16	90.28 (10)	P4—C42—H23	108.1
C13—Mn4—C14	91.75 (16)	P4—C42—H24	108.1
C13—Mn4—C15	96.19 (15)	H23—C42—H24	109.5
C13—Mn4—C16	95.49 (15)	P3—C43—C44	123.3 (3)
C14—Mn4—C15	88.71 (15)	P3—C43—C48	118.3 (3)
C14—Mn4—C16	87.29 (15)	C44—C43—C48	118.4 (3)
C15—Mn4—C16	167.76 (15)	C43—C44—C45	119.8 (4)
Mn1—P1—C17	114.74 (10)	C43—C44—H25	120.1
Mn1—P1—C18	119.20 (11)	C45—C44—H25	120.1
Mn1—P1—C24	114.87 (10)	C44—C45—C46	120.7 (4)
C17—P1—C18	102.14 (14)	C44—C45—H26	119.6
C17—P1—C24	103.41 (13)	C46—C45—H26	119.6
C18—P1—C24	100.17 (14)	C45—C46—C47	120.6 (4)
Mn2—P2—C17	113.60 (10)	C45—C46—H27	119.7
Mn2—P2—C30	116.91 (11)	C47—C46—H27	119.7
Mn2—P2—C36	117.50 (10)	C46—C47—C48	119.9 (4)
C17—P2—C30	107.07 (15)	C46—C47—H28	120.1
C17—P2—C36	98.35 (13)	C48—C47—H28	120.1
C30—P2—C36	101.11 (14)	C43—C48—C47	120.6 (4)
Mn3—P3—C42	114.73 (10)	C43—C48—H29	119.7
Mn3—P3—C43	120.15 (11)	C47—C48—H29	119.7
Mn3—P3—C49	114.39 (10)	P3—C49—C50	118.1 (3)
C42—P3—C43	101.61 (14)	P3—C49—C54	123.7 (3)
C42—P3—C49	104.03 (14)	C50—C49—C54	118.0 (3)
C43—P3—C49	99.53 (14)	C49—C50—C51	121.4 (4)
Mn4—P4—C42	112.66 (10)	C49—C50—H30	119.3
Mn4—P4—C55	116.57 (11)	C51—C50—H30	119.3
Mn4—P4—C61	117.62 (11)	C50—C51—C52	120.0 (4)
C42—P4—C55	107.26 (15)	C50—C51—H31	120.0
C42—P4—C61	98.58 (14)	C52—C51—H31	120.0
C55—P4—C61	102.10 (14)	C51—C52—C53	119.4 (4)
Mn1—C1—O1	177.7 (3)	C51—C52—H32	120.3
Mn1—C2—O2	177.4 (4)	C53—C52—H32	120.3
Mn1—C3—O3	174.9 (3)	C52—C53—C54	121.3 (4)
Mn1—C4—O4	175.3 (3)	C52—C53—H33	119.4
Mn2—C5—O5	177.8 (3)	C54—C53—H33	119.4
Mn2—C6—O6	176.9 (4)	C49—C54—C53	119.8 (4)
Mn2—C7—O7	174.3 (3)	C49—C54—H34	120.1
Mn2—C8—O8	174.2 (3)	C53—C54—H34	120.1
Mn3—C9—O9	177.0 (4)	P4—C55—C56	116.9 (3)
Mn3—C10—O10	178.2 (4)	P4—C55—C60	123.6 (3)
Mn3—C11—O11	174.2 (3)	C56—C55—C60	119.5 (3)
Mn3—C12—O12	175.4 (3)	C55—C56—C57	120.2 (4)
Mn4—C13—O13	178.5 (3)	C55—C56—H35	119.9
Mn4—C14—O14	177.3 (4)	C57—C56—H35	119.9
Mn4—C15—O15	174.1 (3)	C56—C57—C58	119.7 (4)
Mn4—C16—O16	174.0 (3)	C56—C57—H36	120.2
P1—C17—P2	114.82 (15)	C58—C57—H36	120.2
P1—C17—H1	108.1	C57—C58—C59	121.1 (4)
P1—C17—H2	108.1	C57—C58—H37	119.4
P2—C17—H1	108.1	C59—C58—H37	119.4
P2—C17—H2	108.1	C58—C59—C60	119.8 (4)
H1—C17—H2	109.5	C58—C59—H38	120.1
P1—C18—C19	119.2 (3)	C60—C59—H38	120.1
P1—C18—C23	122.0 (3)	C55—C60—C59	119.6 (4)
C19—C18—C23	118.8 (3)	C55—C60—H39	120.2
C18—C19—C20	120.5 (4)	C59—C60—H39	120.2
C18—C19—H3	119.8	P4—C61—C62	119.6 (3)
C20—C19—H3	119.8	P4—C61—C66	122.5 (3)
C19—C20—C21	119.8 (4)	C62—C61—C66	117.9 (3)
C19—C20—H4	120.1	C61—C62—C63	121.3 (4)
C21—C20—H4	120.1	C61—C62—H40	119.3
C20—C21—C22	120.6 (4)	C63—C62—H40	119.3
C20—C21—H5	119.7	C62—C63—C64	119.6 (4)
C22—C21—H5	119.7	C62—C63—H41	120.2
C21—C22—C23	120.4 (4)	C64—C63—H41	120.2
C21—C22—H6	119.8	C63—C64—C65	120.3 (4)
C23—C22—H6	119.8	C63—C64—H42	119.8
C18—C23—C22	120.0 (4)	C65—C64—H42	119.8
C18—C23—H7	120.0	C64—C65—C66	120.4 (4)
C22—C23—H7	120.0	C64—C65—H43	119.8
P1—C24—C25	118.5 (2)	C66—C65—H43	119.8
P1—C24—C29	123.2 (3)	C61—C66—C65	120.5 (4)
C25—C24—C29	118.1 (3)	C61—C66—H44	119.8
C24—C25—C26	120.3 (3)	C65—C66—H44	119.8
Mn1—Mn2—P2—C17	−41.91 (10)	C10—Mn3—Mn4—C16	−119.26 (17)
Mn1—Mn2—P2—C30	83.61 (12)	C11—Mn3—Mn4—C13	20.5 (14)
Mn1—Mn2—P2—C36	−155.87 (11)	C11—Mn3—Mn4—C14	−119.25 (16)
Mn1—P1—C17—P2	−15.44 (19)	C11—Mn3—Mn4—C15	−30.79 (15)
Mn1—P1—C18—C19	−179.8 (2)	C11—Mn3—Mn4—C16	153.54 (15)
Mn1—P1—C18—C23	−0.1 (3)	C11—Mn3—P3—C42	−77.90 (15)
Mn1—P1—C24—C25	86.6 (3)	C11—Mn3—P3—C43	43.70 (16)
Mn1—P1—C24—C29	−89.2 (3)	C11—Mn3—P3—C49	161.97 (16)
Mn2—Mn1—P1—C17	−11.48 (11)	C12—Mn3—Mn4—C13	−161.6 (14)
Mn2—Mn1—P1—C18	−133.00 (11)	C12—Mn3—Mn4—C14	58.59 (16)
Mn2—Mn1—P1—C24	108.19 (11)	C12—Mn3—Mn4—C15	147.05 (15)
Mn2—P2—C17—P1	44.50 (18)	C12—Mn3—Mn4—C16	−28.62 (15)
Mn2—P2—C30—C31	−124.5 (3)	C12—Mn3—P3—C42	96.47 (16)
Mn2—P2—C30—C35	58.2 (3)	C12—Mn3—P3—C43	−141.93 (16)
Mn2—P2—C36—C37	−142.2 (3)	C12—Mn3—P3—C49	−23.66 (16)
Mn2—P2—C36—C41	40.8 (3)	C13—Mn4—P4—C42	−139.33 (15)
Mn3—Mn4—P4—C42	43.57 (10)	C13—Mn4—P4—C55	96.05 (16)
Mn3—Mn4—P4—C55	−81.05 (12)	C13—Mn4—P4—C61	−25.70 (16)
Mn3—Mn4—P4—C61	157.20 (12)	C14—Mn4—P4—C42	−1 (2)
Mn3—P3—C42—P4	15.34 (19)	C14—Mn4—P4—C55	−125 (2)
Mn3—P3—C43—C44	0.5 (3)	C14—Mn4—P4—C61	113 (2)
Mn3—P3—C43—C48	−179.2 (2)	C15—Mn4—P4—C42	124.43 (15)
Mn3—P3—C49—C50	−82.5 (3)	C15—Mn4—P4—C55	−0.20 (16)
Mn3—P3—C49—C54	93.7 (3)	C15—Mn4—P4—C61	−121.94 (16)
Mn4—Mn3—P3—C42	12.65 (11)	C16—Mn4—P4—C42	−43.83 (15)
Mn4—Mn3—P3—C43	134.25 (11)	C16—Mn4—P4—C55	−168.46 (16)
Mn4—Mn3—P3—C49	−107.48 (12)	C16—Mn4—P4—C61	69.80 (16)
Mn4—P4—C42—P3	−45.73 (18)	C17—P1—C18—C19	52.6 (3)
Mn4—P4—C55—C56	−57.8 (3)	C17—P1—C18—C23	−127.8 (3)
Mn4—P4—C55—C60	122.4 (3)	C17—P1—C24—C25	−147.6 (3)
Mn4—P4—C61—C62	−44.1 (3)	C17—P1—C24—C29	36.5 (3)
Mn4—P4—C61—C66	138.2 (3)	C17—P2—C30—C31	4.2 (3)
P1—Mn1—Mn2—P2	26.93 (3)	C17—P2—C30—C35	−173.1 (3)
P1—Mn1—Mn2—C6	−151.23 (12)	C17—P2—C36—C37	95.7 (3)
P1—Mn1—Mn2—C7	120.82 (11)	C17—P2—C36—C41	−81.4 (3)
P1—Mn1—Mn2—C8	−63.76 (10)	C18—P1—C24—C25	−42.4 (3)
P1—C17—P2—C30	−86.10 (18)	C18—P1—C24—C29	141.7 (3)
P1—C17—P2—C36	169.49 (17)	C18—C19—C20—C21	−0.2 (6)
P1—C18—C19—C20	−179.3 (3)	C18—C23—C22—C21	0.2 (6)
P1—C18—C23—C22	179.3 (3)	C19—C18—P1—C24	−53.7 (3)
P1—C24—C25—C26	−177.6 (3)	C19—C18—C23—C22	−1.0 (5)
P1—C24—C29—C28	177.3 (3)	C19—C20—C21—C22	−0.7 (7)
P2—Mn2—Mn1—C2	−152.44 (13)	C20—C19—C18—C23	1.1 (5)
P2—Mn2—Mn1—C3	−64.40 (11)	C20—C21—C22—C23	0.7 (7)
P2—Mn2—Mn1—C4	117.43 (11)	C23—C18—P1—C24	126.0 (3)
P2—C17—P1—C18	115.00 (18)	C24—C25—C26—C27	1.2 (6)
P2—C17—P1—C24	−141.30 (17)	C24—C29—C28—C27	−1.0 (7)
P2—C30—C31—C32	−176.3 (3)	C25—C24—C29—C28	1.4 (6)
P2—C30—C35—C34	175.7 (3)	C25—C26—C27—C28	−0.8 (7)
P2—C36—C37—C38	−178.8 (3)	C26—C25—C24—C29	−1.5 (5)
P2—C36—C41—C40	177.7 (3)	C26—C27—C28—C29	0.7 (7)
P3—Mn3—Mn4—P4	−28.44 (3)	C30—P2—C36—C37	−13.7 (3)
P3—Mn3—Mn4—C14	149.23 (12)	C30—P2—C36—C41	169.3 (3)
P3—Mn3—Mn4—C15	−122.31 (11)	C30—C31—C32—C33	0.3 (6)
P3—Mn3—Mn4—C16	62.01 (10)	C30—C35—C34—C33	1.2 (6)
P3—C42—P4—C55	83.85 (18)	C31—C30—P2—C36	106.6 (3)
P3—C42—P4—C61	−170.55 (17)	C31—C30—C35—C34	−1.8 (5)
P3—C43—C44—C45	−179.0 (3)	C31—C32—C33—C34	−1.0 (7)
P3—C43—C48—C47	178.5 (3)	C32—C31—C30—C35	1.1 (5)
P3—C49—C50—C51	177.2 (3)	C32—C33—C34—C35	0.2 (7)
P3—C49—C54—C53	−176.4 (3)	C35—C30—P2—C36	−70.7 (3)
P4—Mn4—Mn3—C9	−161.6 (12)	C36—C37—C38—C39	1.7 (6)
P4—Mn4—Mn3—C10	150.28 (14)	C36—C41—C40—C39	0.6 (6)
P4—Mn4—Mn3—C11	63.08 (11)	C37—C36—C41—C40	0.6 (5)
P4—Mn4—Mn3—C12	−119.08 (11)	C37—C38—C39—C40	−0.5 (7)
P4—C42—P3—C43	−115.90 (17)	C38—C37—C36—C41	−1.7 (5)
P4—C42—P3—C49	141.06 (16)	C38—C39—C40—C41	−0.6 (7)
P4—C55—C56—C57	178.9 (3)	C42—P3—C43—C44	128.3 (3)
P4—C55—C60—C59	−177.5 (3)	C42—P3—C43—C48	−51.3 (3)
P4—C61—C62—C63	−177.9 (3)	C42—P3—C49—C50	151.5 (3)
P4—C61—C66—C65	178.3 (3)	C42—P3—C49—C54	−32.2 (3)
C1—Mn1—P1—C17	171.72 (15)	C42—P4—C55—C56	174.9 (2)
C1—Mn1—P1—C18	50.21 (15)	C42—P4—C55—C60	−4.9 (3)
C1—Mn1—P1—C24	−68.61 (15)	C42—P4—C61—C62	77.2 (3)
C2—Mn1—Mn2—C5	−110.0 (18)	C42—P4—C61—C66	−100.5 (3)
C2—Mn1—Mn2—C6	29.40 (17)	C43—P3—C49—C50	46.9 (3)
C2—Mn1—Mn2—C7	−58.55 (16)	C43—P3—C49—C54	−136.8 (3)
C2—Mn1—Mn2—C8	116.87 (16)	C43—C44—C45—C46	0.4 (6)
C3—Mn1—Mn2—C5	−22.0 (18)	C43—C48—C47—C46	0.6 (6)
C3—Mn1—Mn2—C6	117.45 (16)	C44—C43—P3—C49	−125.1 (3)
C3—Mn1—Mn2—C7	29.50 (15)	C44—C43—C48—C47	−1.2 (5)
C3—Mn1—Mn2—C8	−155.08 (15)	C44—C45—C46—C47	−1.0 (7)
C3—Mn1—P1—C17	76.83 (15)	C45—C44—C43—C48	0.7 (5)
C3—Mn1—P1—C18	−44.69 (15)	C45—C46—C47—C48	0.5 (6)
C3—Mn1—P1—C24	−163.51 (15)	C48—C43—P3—C49	55.2 (3)
C4—Mn1—Mn2—C5	159.8 (18)	C49—C50—C51—C52	−0.9 (6)
C4—Mn1—Mn2—C6	−60.73 (16)	C49—C54—C53—C52	−0.2 (6)
C4—Mn1—Mn2—C7	−148.67 (15)	C50—C49—C54—C53	−0.2 (6)
C4—Mn1—Mn2—C8	26.74 (15)	C50—C51—C52—C53	0.4 (7)
C4—Mn1—P1—C17	−96.08 (15)	C51—C50—C49—C54	0.8 (6)
C4—Mn1—P1—C18	142.40 (15)	C51—C52—C53—C54	0.1 (7)
C4—Mn1—P1—C24	23.59 (15)	C55—P4—C61—C62	−173.0 (3)
C5—Mn2—P2—C17	140.31 (14)	C55—P4—C61—C66	9.3 (3)
C5—Mn2—P2—C30	−94.17 (15)	C55—C56—C57—C58	0.0 (6)
C5—Mn2—P2—C36	26.36 (15)	C55—C60—C59—C58	−2.9 (6)
C7—Mn2—P2—C17	−123.71 (14)	C56—C55—P4—C61	71.8 (3)
C7—Mn2—P2—C30	1.81 (15)	C56—C55—C60—C59	2.7 (5)
C7—Mn2—P2—C36	122.34 (15)	C56—C57—C58—C59	−0.2 (7)
C8—Mn2—P2—C17	44.69 (14)	C57—C56—C55—C60	−1.3 (5)
C8—Mn2—P2—C30	170.20 (15)	C57—C58—C59—C60	1.7 (7)
C8—Mn2—P2—C36	−69.27 (15)	C60—C55—P4—C61	−108.0 (3)
C9—Mn3—P3—C42	−171.78 (16)	C61—C62—C63—C64	0.1 (7)
C9—Mn3—P3—C43	−50.18 (17)	C61—C66—C65—C64	−1.1 (7)
C9—Mn3—P3—C49	68.09 (17)	C62—C61—C66—C65	0.6 (6)
C10—Mn3—Mn4—C13	107.7 (14)	C62—C63—C64—C65	−0.6 (7)
C10—Mn3—Mn4—C14	−32.05 (18)	C63—C62—C61—C66	−0.1 (6)
C10—Mn3—Mn4—C15	56.41 (17)	C63—C64—C65—C66	1.1 (7)

Symmetry codes: (i) x+1, y, z; (ii) x+1, y+1, z; (iii) −x+1, −y+1, −z+2; (iv) −x+1, −y+1, −z+1; (v) x, y+1, z; (vi) −x, −y, −z+2; (vii) −x, −y+1, −z+2; (viii) x−1, y, z; (ix) −x, −y, −z+1.

(II) µ-Bis(diphenylphosphino)methane-P:P'-octacarbonyldimanganese(Mn—Mn) toluene hemisolvate

Crystal data

[Mn2(CO)8(C25H22P2)]·0.5C7H8	Dx = 1.469 Mg m^−3
Mr = 764.43	Mo Kα radiation, λ = 0.71073 Å
Tetragonal, I41cd	Cell parameters from 25 reflections
Hall symbol: I 41b -2c	θ = 15.5–16.0°
a = 18.286 (2) Å	µ = 0.87 mm^−1
c = 41.345 (6) Å	T = 294 K
V = 13824 (3) Å^3	Block, yellow
Z = 16	0.36 × 0.32 × 0.29 mm
F(000) = 6224.00

Data collection

Enraf-Nonius CAD-4 diffractometer	2520 reflections with I > 1σ(I)
Radiation source: sealed X-ray tube	Rint = 0.000
Graphite monochromator	θmax = 25.0°, θmin = 1.6°
ω scans	h = 0→21
Absorption correction: ψ-scan (North et al., 1968)	k = 0→15
Tmin = 0.72, Tmax = 0.77	l = 0→49
3084 measured reflections	3 standard reflections every 60 min
3084 independent reflections	intensity decay: 1.1%

Refinement

Refinement on F^2	0 restraints
Least-squares matrix: full	0 constraints
R[F^2 > 2σ(F^2)] = 0.045	H-atom parameters constrained
wR(F^2) = 0.038	w = 4Fo^2/[σ^2(I) + (0.02I)^2]
S = 1.32	(Δ/σ)max = 0.005
3084 reflections	Δρmax = 0.48 e Å^−3
438 parameters	Δρmin = −0.48 e Å^−3

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Ų)

	x	y	z	Uiso*/Ueq
Mn1	0.68920 (5)	0.64484 (5)	0.5000	0.0407 (3)
Mn2	0.60238 (5)	0.63975 (5)	0.55966 (3)	0.0423 (3)
P1	0.64564 (9)	0.76189 (9)	0.49097 (5)	0.0368 (5)
P2	0.62335 (9)	0.76355 (9)	0.56508 (5)	0.0372 (5)
O1	0.7646 (3)	0.6396 (3)	0.43734 (13)	0.0691 (19)
O2	0.5559 (3)	0.5771 (3)	0.47107 (16)	0.082 (2)
O3	0.7437 (3)	0.4977 (3)	0.51898 (14)	0.0719 (18)
O4	0.8217 (3)	0.6932 (3)	0.53497 (13)	0.0661 (19)
O5	0.4660 (3)	0.6708 (3)	0.52227 (13)	0.0621 (18)
O6	0.5775 (3)	0.4832 (3)	0.5466 (2)	0.100 (3)
O7	0.7452 (3)	0.5935 (3)	0.58729 (13)	0.0612 (17)
O8	0.5286 (3)	0.6288 (4)	0.62228 (16)	0.096 (2)
C1	0.7347 (4)	0.6432 (4)	0.46202 (18)	0.047 (2)
C2	0.6059 (5)	0.6045 (4)	0.48308 (19)	0.059 (3)
C3	0.7212 (4)	0.5536 (4)	0.51171 (18)	0.051 (2)
C4	0.7675 (4)	0.6781 (4)	0.52275 (16)	0.044 (2)
C5	0.5198 (5)	0.6602 (4)	0.53607 (18)	0.051 (2)
C6	0.5877 (4)	0.5436 (4)	0.5513 (2)	0.063 (3)
C7	0.6914 (4)	0.6143 (4)	0.57623 (18)	0.046 (2)
C8	0.5571 (4)	0.6344 (4)	0.5978 (2)	0.059 (3)
C9	0.6160 (4)	0.8131 (4)	0.52706 (17)	0.047 (2)
C10	0.5679 (3)	0.7658 (4)	0.46352 (16)	0.0386 (19)
C11	0.4998 (4)	0.7940 (4)	0.47055 (19)	0.063 (2)
C12	0.4432 (5)	0.7943 (6)	0.4482 (3)	0.084 (4)
C13	0.4556 (5)	0.7673 (6)	0.4180 (3)	0.078 (3)
C14	0.5226 (5)	0.7392 (6)	0.4103 (2)	0.077 (3)
C15	0.5774 (4)	0.7376 (5)	0.43250 (19)	0.060 (3)
C16	0.5576 (4)	0.8158 (4)	0.58945 (16)	0.0385 (19)
C17	0.5796 (4)	0.8641 (4)	0.61387 (18)	0.052 (2)
C18	0.5284 (5)	0.9045 (4)	0.6310 (2)	0.065 (3)
C19	0.4550 (5)	0.8968 (5)	0.6248 (2)	0.062 (3)
C20	0.4335 (4)	0.8496 (5)	0.6013 (2)	0.063 (3)
C21	0.4832 (4)	0.8087 (4)	0.58377 (19)	0.057 (3)
C22	0.7101 (4)	0.7896 (3)	0.58353 (16)	0.0378 (19)
C23	0.7266 (4)	0.7578 (4)	0.61303 (16)	0.049 (2)
C24	0.7910 (5)	0.7750 (5)	0.62854 (19)	0.065 (3)
C25	0.8398 (5)	0.8220 (6)	0.6148 (3)	0.082 (4)
C26	0.8251 (5)	0.8518 (5)	0.5860 (3)	0.078 (3)
C27	0.7605 (4)	0.8378 (4)	0.56902 (18)	0.062 (3)
C28	0.7071 (4)	0.8288 (4)	0.47190 (16)	0.0387 (19)
C29	0.7825 (4)	0.8227 (4)	0.4744 (2)	0.062 (3)
C30	0.8276 (4)	0.8761 (5)	0.4616 (2)	0.071 (3)
C31	0.7984 (6)	0.9349 (5)	0.4464 (2)	0.069 (3)
C32	0.7240 (6)	0.9407 (4)	0.4428 (2)	0.069 (3)
C33	0.6787 (4)	0.8877 (4)	0.45615 (18)	0.050 (2)
C34	0.5000	0.5000	0.7941 (4)	0.088 (5)
C35	0.4766 (5)	0.4415 (5)	0.7763 (3)	0.090 (4)
C36	0.4762 (5)	0.4399 (5)	0.7431 (3)	0.080 (3)
C37	0.5000	0.5000	0.7248 (4)	0.075 (4)
C38	0.5000	0.5000	0.6887 (3)	0.112 (6)
H1	0.6451	0.8559	0.5286	0.057*
H2	0.5662	0.8265	0.5241	0.057*
H3	0.4914	0.8140	0.4914	0.075*
H4	0.3965	0.8131	0.4539	0.100*
H5	0.4177	0.7679	0.4024	0.094*
H6	0.5309	0.7206	0.3891	0.093*
H7	0.6232	0.7168	0.4268	0.072*
H8	0.6301	0.8692	0.6187	0.062*
H9	0.5442	0.9377	0.6473	0.078*
H10	0.4198	0.9240	0.6366	0.074*
H11	0.3829	0.8445	0.5967	0.075*
H12	0.4664	0.7754	0.5678	0.068*
H13	0.6935	0.7241	0.6226	0.059*
H14	0.8014	0.7538	0.6490	0.078*
H15	0.8841	0.8336	0.6257	0.098*
H16	0.8600	0.8840	0.5767	0.094*
H17	0.7510	0.8597	0.5486	0.075*
H18	0.8033	0.7815	0.4850	0.074*
H19	0.8792	0.8715	0.4636	0.085*
H20	0.8294	0.9721	0.4381	0.082*
H21	0.7037	0.9807	0.4312	0.083*
H22	0.6271	0.8927	0.4543	0.060*
H23	0.5000	0.5000	0.8171	0.106*
H24	0.4595	0.3995	0.7875	0.108*
H26	0.4596	0.3973	0.7322	0.096*

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
Mn1	0.0417 (6)	0.0370 (6)	0.0434 (6)	0.0029 (5)	−0.0055 (5)	−0.0002 (5)
Mn2	0.0394 (6)	0.0388 (6)	0.0489 (6)	−0.0045 (5)	−0.0027 (5)	0.0064 (6)
P1	0.0386 (10)	0.0383 (10)	0.0336 (9)	0.0032 (8)	−0.0021 (8)	0.0012 (8)
P2	0.0394 (10)	0.0402 (10)	0.0321 (9)	−0.0021 (8)	−0.0030 (8)	0.0041 (8)
O1	0.072 (4)	0.080 (4)	0.055 (3)	0.008 (3)	0.013 (3)	−0.007 (3)
O2	0.064 (4)	0.085 (5)	0.097 (5)	−0.015 (3)	−0.020 (4)	−0.017 (4)
O3	0.095 (4)	0.038 (3)	0.083 (4)	0.014 (3)	−0.007 (4)	0.010 (3)
O4	0.056 (3)	0.071 (4)	0.072 (4)	0.002 (3)	−0.016 (3)	0.003 (3)
O5	0.054 (3)	0.064 (4)	0.068 (4)	0.000 (3)	−0.017 (3)	0.009 (3)
O6	0.069 (4)	0.034 (3)	0.196 (8)	−0.013 (3)	−0.031 (5)	0.008 (4)
O7	0.054 (3)	0.066 (4)	0.063 (3)	0.008 (3)	−0.011 (3)	0.010 (3)
O8	0.084 (5)	0.131 (6)	0.073 (4)	0.013 (4)	0.029 (4)	0.043 (4)
C1	0.047 (4)	0.046 (4)	0.048 (5)	0.003 (4)	−0.011 (4)	−0.001 (4)
C2	0.074 (6)	0.040 (5)	0.062 (6)	0.010 (4)	−0.003 (5)	0.002 (4)
C3	0.055 (5)	0.048 (5)	0.049 (5)	−0.007 (4)	−0.009 (4)	0.005 (4)
C4	0.054 (5)	0.041 (4)	0.038 (4)	0.010 (4)	−0.006 (4)	0.006 (3)
C5	0.057 (5)	0.037 (4)	0.058 (5)	−0.007 (4)	0.001 (4)	0.004 (4)
C6	0.045 (5)	0.052 (5)	0.091 (7)	−0.006 (4)	−0.017 (5)	0.019 (5)
C7	0.045 (5)	0.047 (4)	0.045 (4)	−0.006 (4)	−0.005 (4)	0.006 (4)
C8	0.058 (5)	0.050 (5)	0.069 (6)	−0.002 (4)	−0.002 (5)	0.016 (5)
C9	0.063 (5)	0.036 (4)	0.043 (4)	0.003 (4)	−0.002 (4)	0.000 (3)
C10	0.035 (4)	0.045 (4)	0.036 (4)	−0.005 (3)	−0.002 (3)	0.005 (3)
C11	0.043 (4)	0.079 (5)	0.066 (5)	0.015 (4)	−0.003 (5)	0.004 (5)
C12	0.044 (5)	0.118 (9)	0.089 (7)	0.019 (5)	−0.016 (5)	0.005 (7)
C13	0.056 (6)	0.097 (7)	0.082 (7)	−0.004 (5)	−0.035 (6)	0.010 (6)
C14	0.080 (7)	0.106 (8)	0.046 (5)	−0.001 (6)	−0.023 (5)	−0.008 (5)
C15	0.050 (5)	0.078 (6)	0.052 (5)	0.008 (4)	−0.006 (4)	−0.001 (5)
C16	0.045 (4)	0.039 (4)	0.031 (4)	0.004 (3)	0.002 (3)	0.003 (3)
C17	0.050 (4)	0.059 (5)	0.047 (5)	−0.008 (4)	0.000 (4)	0.000 (4)
C18	0.076 (6)	0.053 (5)	0.067 (6)	0.003 (5)	0.003 (5)	−0.018 (5)
C19	0.063 (6)	0.057 (5)	0.065 (6)	0.002 (5)	0.016 (5)	0.004 (5)
C20	0.041 (4)	0.061 (5)	0.087 (6)	0.002 (4)	−0.005 (5)	0.011 (5)
C21	0.052 (5)	0.054 (5)	0.064 (5)	0.000 (4)	0.000 (4)	−0.016 (4)
C22	0.046 (4)	0.035 (4)	0.033 (4)	0.000 (3)	0.003 (3)	−0.009 (3)
C23	0.049 (4)	0.056 (5)	0.041 (4)	0.000 (4)	−0.003 (4)	−0.012 (4)
C24	0.060 (5)	0.078 (6)	0.056 (6)	0.000 (5)	−0.018 (4)	−0.015 (5)
C25	0.054 (6)	0.106 (8)	0.085 (7)	−0.006 (6)	−0.019 (5)	−0.025 (7)
C26	0.050 (5)	0.092 (7)	0.092 (7)	−0.036 (5)	0.016 (5)	−0.005 (6)
C27	0.067 (5)	0.067 (5)	0.053 (5)	−0.030 (4)	0.014 (4)	−0.002 (4)
C28	0.041 (4)	0.037 (4)	0.038 (4)	−0.001 (3)	−0.008 (3)	−0.009 (3)
C29	0.051 (5)	0.064 (5)	0.070 (6)	0.000 (4)	0.005 (4)	0.010 (5)
C30	0.052 (5)	0.071 (6)	0.089 (7)	−0.014 (5)	0.022 (5)	0.005 (5)
C31	0.092 (7)	0.058 (6)	0.055 (6)	−0.026 (5)	0.020 (5)	−0.005 (5)
C32	0.102 (8)	0.043 (5)	0.062 (6)	−0.014 (5)	−0.010 (5)	−0.004 (4)
C33	0.056 (5)	0.043 (4)	0.050 (5)	−0.004 (4)	−0.007 (4)	0.004 (4)
C34	0.073 (9)	0.105 (11)	0.088 (11)	−0.001 (9)	0.0000	0.0000
C35	0.079 (8)	0.086 (7)	0.105 (9)	0.005 (6)	0.013 (7)	0.011 (7)
C36	0.066 (6)	0.074 (6)	0.100 (8)	0.007 (5)	0.000 (6)	−0.021 (6)
C37	0.067 (8)	0.062 (8)	0.096 (11)	0.022 (7)	0.0000	0.0000
C38	0.107 (12)	0.164 (16)	0.067 (9)	0.047 (12)	0.0000	0.0000

Geometric parameters (Å, º)

Mn1—Mn2	2.9338 (14)	C17—C18	1.388 (10)
Mn1—P1	2.314 (2)	C17—H8	0.95
Mn1—C1	1.778 (8)	C18—C19	1.374 (11)
Mn1—C2	1.832 (9)	C18—H9	0.95
Mn1—C3	1.833 (8)	C19—C20	1.357 (11)
Mn1—C4	1.817 (8)	C19—H10	0.95
Mn2—P2	2.307 (2)	C20—C21	1.382 (10)
Mn2—C5	1.836 (9)	C20—H11	0.95
Mn2—C6	1.812 (8)	C21—H12	0.95
Mn2—C7	1.827 (7)	C22—C23	1.385 (9)
Mn2—C8	1.782 (9)	C22—C27	1.409 (9)
P1—C9	1.843 (7)	C23—C24	1.376 (10)
P1—C10	1.821 (6)	C23—H13	0.95
P1—C28	1.839 (7)	C24—C25	1.365 (12)
P2—C9	1.820 (7)	C24—H14	0.95
P2—C16	1.837 (7)	C25—C26	1.338 (13)
P2—C22	1.824 (7)	C25—H15	0.95
O1—C1	1.160 (8)	C26—C27	1.397 (11)
O2—C2	1.154 (9)	C26—H16	0.95
O3—C3	1.142 (8)	C27—H17	0.95
O4—C4	1.147 (8)	C28—C29	1.387 (9)
O5—C5	1.153 (8)	C28—C33	1.362 (9)
O6—C6	1.136 (8)	C29—C30	1.382 (10)
O7—C7	1.149 (8)	C29—H18	0.95
O8—C8	1.144 (9)	C30—C31	1.357 (11)
C9—H1	0.95	C30—H19	0.95
C9—H2	0.95	C31—C32	1.371 (12)
C10—C11	1.378 (9)	C31—H20	0.95
C10—C15	1.393 (9)	C32—C33	1.389 (10)
C11—C12	1.388 (11)	C32—H21	0.95
C11—H3	0.95	C33—H22	0.95
C12—C13	1.360 (13)	C34—C35	1.368 (12)
C12—H4	0.95	C34—C35^i	1.368 (12)
C13—C14	1.366 (12)	C34—H23	0.95
C13—H5	0.95	C35—C36	1.373 (13)
C14—C15	1.361 (10)	C35—H24	0.95
C14—H6	0.95	C36—C37	1.401 (12)
C15—H7	0.95	C36—H26	0.95
C16—C17	1.400 (9)	C37—C38	1.496 (18)
C16—C21	1.386 (9)
O1···C23^ii	3.484 (9)	O6···O6^i	2.901 (12)
O1···C12^iii	3.512 (10)	O6···C6^i	3.067 (9)
O2···O2^i	3.484 (12)	O6···C5^i	3.199 (9)
O3···C32^iv	3.370 (10)	O6···C26^iv	3.406 (10)
O3···C30^iv	3.503 (10)	O7···C13^v	3.465 (11)
O3···C33^iv	3.579 (9)	O8···C25^vi	3.579 (11)
O3···C27^iv	3.583 (9)	C3···C31^iv	3.484 (11)
O4···C20^iii	3.508 (10)	C6···C6^i	3.582 (15)
O4···C21^iii	3.577 (9)	C19···C31^vii	3.484 (12)
O5···O6^i	3.094 (8)	O(6)···C(6)^i	3.067 (9)
Mn2—Mn1—P1	88.80 (6)	C15—C14—H6	119.7
Mn2—Mn1—C1	174.4 (2)	C10—C15—C14	121.4 (7)
Mn2—Mn1—C2	81.9 (3)	C10—C15—H7	119.3
Mn2—Mn1—C3	85.5 (3)	C14—C15—H7	119.3
Mn2—Mn1—C4	90.2 (2)	P2—C16—C17	122.4 (5)
P1—Mn1—C1	91.9 (2)	P2—C16—C21	120.0 (5)
P1—Mn1—C2	91.4 (2)	C17—C16—C21	117.6 (7)
P1—Mn1—C3	173.9 (3)	C16—C17—C18	120.7 (7)
P1—Mn1—C4	92.6 (2)	C16—C17—H8	119.6
C1—Mn1—C2	92.5 (3)	C18—C17—H8	119.7
C1—Mn1—C3	93.9 (3)	C17—C18—C19	120.5 (8)
C1—Mn1—C4	95.4 (3)	C17—C18—H9	119.8
C2—Mn1—C3	90.0 (3)	C19—C18—H9	119.8
C2—Mn1—C4	171.0 (3)	C18—C19—C20	118.9 (8)
C3—Mn1—C4	85.3 (3)	C18—C19—H10	120.6
Mn1—Mn2—P2	87.74 (6)	C20—C19—H10	120.6
Mn1—Mn2—C5	89.5 (2)	C19—C20—C21	121.9 (7)
Mn1—Mn2—C6	87.2 (3)	C19—C20—H11	119.0
Mn1—Mn2—C7	80.8 (2)	C21—C20—H11	119.0
Mn1—Mn2—C8	174.8 (2)	C16—C21—C20	120.4 (7)
P2—Mn2—C5	89.3 (2)	C16—C21—H12	119.8
P2—Mn2—C6	174.5 (3)	C20—C21—H12	119.8
P2—Mn2—C7	93.7 (2)	P2—C22—C23	116.6 (5)
P2—Mn2—C8	92.6 (3)	P2—C22—C27	123.7 (5)
C5—Mn2—C6	88.5 (3)	C23—C22—C27	119.6 (7)
C5—Mn2—C7	169.8 (3)	C22—C23—C24	120.1 (7)
C5—Mn2—C8	95.7 (3)	C22—C23—H13	120.0
C6—Mn2—C7	87.5 (3)	C24—C23—H13	119.9
C6—Mn2—C8	92.7 (4)	C23—C24—C25	120.7 (8)
C7—Mn2—C8	93.9 (3)	C23—C24—H14	119.7
Mn1—P1—C9	116.1 (2)	C25—C24—H14	119.7
Mn1—P1—C10	113.9 (2)	C24—C25—C26	119.7 (8)
Mn1—P1—C28	118.3 (2)	C24—C25—H15	120.2
C9—P1—C10	104.8 (3)	C26—C25—H15	120.2
C9—P1—C28	100.9 (3)	C25—C26—C27	122.9 (8)
C10—P1—C28	100.6 (3)	C25—C26—H16	118.6
Mn2—P2—C9	113.1 (2)	C27—C26—H16	118.6
Mn2—P2—C16	117.1 (2)	C22—C27—C26	117.0 (7)
Mn2—P2—C22	116.2 (2)	C22—C27—H17	121.5
C9—P2—C16	99.6 (3)	C26—C27—H17	121.5
C9—P2—C22	107.2 (3)	P1—C28—C29	121.5 (6)
C16—P2—C22	101.8 (3)	P1—C28—C33	119.9 (5)
Mn1—C1—O1	177.6 (7)	C29—C28—C33	118.6 (7)
Mn1—C2—O2	176.0 (7)	C28—C29—C30	120.5 (8)
Mn1—C3—O3	177.4 (7)	C28—C29—H18	119.8
Mn1—C4—O4	171.8 (6)	C30—C29—H18	119.8
Mn2—C5—O5	176.6 (6)	C29—C30—C31	120.2 (8)
Mn2—C6—O6	178.6 (9)	C29—C30—H19	119.9
Mn2—C7—O7	174.9 (7)	C31—C30—H19	119.9
Mn2—C8—O8	178.1 (8)	C30—C31—C32	120.1 (8)
P1—C9—P2	115.1 (4)	C30—C31—H20	120.0
P1—C9—H1	108.0	C32—C31—H20	120.0
P1—C9—H2	108.0	C31—C32—C33	119.7 (8)
P2—C9—H1	108.0	C31—C32—H21	120.1
P2—C9—H2	108.0	C33—C32—H21	120.1
H1—C9—H2	109.5	C28—C33—C32	120.9 (7)
P1—C10—C11	126.0 (6)	C28—C33—H22	119.6
P1—C10—C15	117.5 (5)	C32—C33—H22	119.6
C11—C10—C15	116.5 (6)	C35—C34—C35^i	114.6 (14)
C10—C11—C12	122.3 (8)	C35—C34—H23	122.7
C10—C11—H3	118.8	C35^i—C34—H23	122.7
C12—C11—H3	118.8	C34—C35—C36	123.9 (11)
C11—C12—C13	119.0 (8)	C34—C35—H24	118.0
C11—C12—H4	120.5	C36—C35—H24	118.0
C13—C12—H4	120.5	C35—C36—C37	121.3 (10)
C12—C13—C14	120.2 (8)	C35—C36—H26	119.3
C12—C13—H5	119.9	C37—C36—H26	119.3
C14—C13—H5	119.9	C36—C37—C36^i	114.9 (13)
C13—C14—C15	120.6 (8)	C36—C37—C38	122.5 (6)
C13—C14—H6	119.7	C36^i—C37—C38	122.5 (6)
Mn1—Mn2—P2—C9	41.7 (3)	C4—Mn1—P1—C10	172.9 (3)
Mn1—Mn2—P2—C16	156.6 (2)	C4—Mn1—P1—C28	55.0 (3)
Mn1—Mn2—P2—C22	−82.9 (2)	C5—Mn2—P2—C9	−47.9 (4)
Mn1—P1—C9—P2	−1.2 (5)	C5—Mn2—P2—C16	67.0 (3)
Mn1—P1—C10—C11	121.3 (6)	C5—Mn2—P2—C22	−172.5 (3)
Mn1—P1—C10—C15	−58.5 (6)	C7—Mn2—P2—C9	122.4 (4)
Mn1—P1—C28—C29	−25.8 (7)	C7—Mn2—P2—C16	−122.7 (3)
Mn1—P1—C28—C33	157.3 (5)	C7—Mn2—P2—C22	−2.3 (3)
Mn2—Mn1—P1—C9	24.9 (3)	C8—Mn2—P2—C9	−143.6 (4)
Mn2—Mn1—P1—C10	−97.0 (2)	C8—Mn2—P2—C16	−28.7 (3)
Mn2—Mn1—P1—C28	145.1 (2)	C8—Mn2—P2—C22	91.8 (3)
Mn2—P2—C9—P1	−33.4 (5)	C9—P1—C10—C11	−6.6 (7)
Mn2—P2—C16—C17	130.9 (5)	C9—P1—C10—C15	173.5 (6)
Mn2—P2—C16—C21	−49.6 (7)	C9—P1—C28—C29	102.0 (7)
Mn2—P2—C22—C23	−52.5 (6)	C9—P1—C28—C33	−75.0 (6)
Mn2—P2—C22—C27	125.7 (6)	C9—P2—C16—C17	−106.8 (6)
P1—Mn1—Mn2—P2	−33.25 (7)	C9—P2—C16—C21	72.6 (6)
P1—Mn1—Mn2—C5	56.1 (2)	C9—P2—C22—C23	180.0 (5)
P1—Mn1—Mn2—C6	144.7 (2)	C9—P2—C22—C27	−1.9 (7)
P1—Mn1—Mn2—C7	−127.4 (2)	C10—P1—C28—C29	−150.5 (6)
P1—Mn1—Mn2—C8	−127 (3)	C10—P1—C28—C33	32.5 (6)
P1—C9—P2—C16	−158.4 (4)	C10—C11—C12—C13	−1.4 (14)
P1—C9—P2—C22	96.0 (4)	C10—C15—C14—C13	−1.5 (15)
P1—C10—C11—C12	−179.5 (7)	C11—C10—P1—C28	−111.0 (7)
P1—C10—C15—C14	−179.0 (7)	C11—C10—C15—C14	1.1 (12)
P1—C28—C29—C30	−175.9 (6)	C11—C12—C13—C14	1.1 (16)
P1—C28—C33—C32	177.2 (6)	C12—C11—C10—C15	0.3 (12)
P2—Mn2—Mn1—C1	−131 (2)	C12—C13—C14—C15	0.3 (16)
P2—Mn2—Mn1—C2	−124.8 (2)	C15—C10—P1—C28	69.2 (6)
P2—Mn2—Mn1—C3	144.6 (2)	C16—P2—C22—C23	75.9 (6)
P2—Mn2—Mn1—C4	59.3 (2)	C16—P2—C22—C27	−105.9 (6)
P2—C9—P1—C10	125.4 (4)	C16—C17—C18—C19	1.2 (13)
P2—C9—P1—C28	−130.4 (4)	C16—C21—C20—C19	−1.2 (13)
P2—C16—C17—C18	177.8 (6)	C17—C16—P2—C22	3.1 (6)
P2—C16—C21—C20	−177.9 (6)	C17—C16—C21—C20	1.6 (11)
P2—C22—C23—C24	−179.7 (6)	C17—C18—C19—C20	−0.7 (14)
P2—C22—C27—C26	−179.3 (6)	C18—C17—C16—C21	−1.7 (11)
C1—Mn1—P1—C9	−160.6 (3)	C18—C19—C20—C21	0.7 (13)
C1—Mn1—P1—C10	77.5 (3)	C21—C16—P2—C22	−177.4 (6)
C1—Mn1—P1—C28	−40.4 (3)	C22—C23—C24—C25	−1.5 (13)
C2—Mn1—Mn2—C5	−35.5 (3)	C22—C27—C26—C25	−0.3 (14)
C2—Mn1—Mn2—C6	53.1 (3)	C23—C22—C27—C26	−1.2 (11)
C2—Mn1—Mn2—C7	141.0 (3)	C23—C24—C25—C26	0.0 (15)
C2—Mn1—Mn2—C8	141 (3)	C24—C23—C22—C27	2.0 (11)
C2—Mn1—P1—C9	106.8 (4)	C24—C25—C26—C27	0.9 (16)
C2—Mn1—P1—C10	−15.1 (3)	C28—C29—C30—C31	−0.3 (14)
C2—Mn1—P1—C28	−133.0 (3)	C28—C33—C32—C31	−2.1 (12)
C3—Mn1—Mn2—C5	−126.1 (3)	C29—C28—C33—C32	0.1 (11)
C3—Mn1—Mn2—C6	−37.5 (3)	C29—C30—C31—C32	−1.7 (14)
C3—Mn1—Mn2—C7	50.4 (3)	C30—C29—C28—C33	1.1 (12)
C3—Mn1—Mn2—C8	51 (3)	C30—C31—C32—C33	2.9 (13)
C4—Mn1—Mn2—C5	148.7 (3)	C34—C35—C36—C37	−0.5 (14)
C4—Mn1—Mn2—C6	−122.8 (3)	C34—C35^i—C36^i—C37	−0.5 (14)
C4—Mn1—Mn2—C7	−34.8 (3)	C35—C34—C35^i—C36^i	0.3 (7)
C4—Mn1—Mn2—C8	−35 (3)	C35—C36—C37—C36^i	0.2 (7)
C4—Mn1—P1—C9	−65.2 (4)	C35—C36—C37—C38	−179.8 (7)

Symmetry codes: (i) −x+1, −y+1, z; (ii) −y+3/2, x, z−1/4; (iii) x+1/2, −y+3/2, z; (iv) −x+3/2, y−1/2, z; (v) −y+3/2, −x+1, z+1/4; (vi) x−1/2, −y+3/2, z; (vii) y−1/2, x, z+1/4.