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The title compound, [MnPt(C5H5)(C8H6)(C18H15P)2(CO)2], is a dinuclear heterometallic Mn—Pt(μ-C=CHPh) complex obtained as a product of the addition of [Pt(PPh3)]2 to (η5-C5H5)(CO)2Mn=C=CHPh. The two metal atoms are bridged by the μ-phenyl­vinyl­idene ligand and semibridged by a carbonyl group. The central fragment of the mol­ecule is an almost planar methyl­enedimetallacyclo­propane Mn—Pt(μ-C=CHPh) system. The coordination of the Mn atom is formed by two parallel planes: the first plane consists of three carbonyl C atoms and the second is the cyclo­penta­dienyl plane. A distorted square-planar coordination of the Pt atom is formed by two P atoms of PPh3 and C atoms of the semi-bridging and C=CHPh ligands.

Supporting information

cif

Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536807032254/cv2263sup1.cif
Contains datablocks global, I

hkl

Structure factor file (CIF format) https://doi.org/10.1107/S1600536807032254/cv2263Isup2.hkl
Contains datablock I

CCDC reference: 657550

Key indicators

  • Single-crystal X-ray study
  • T = 283 K
  • Mean [sigma](C-C) = 0.005 Å
  • R factor = 0.020
  • wR factor = 0.045
  • Data-to-parameter ratio = 22.3

checkCIF/PLATON results

No syntax errors found



Alert level B PLAT220_ALERT_2_B Large Non-Solvent C Ueq(max)/Ueq(min) ... 3.54 Ratio
Alert level C PLAT062_ALERT_4_C Rescale T(min) & T(max) by ..................... 0.95 PLAT094_ALERT_2_C Ratio of Maximum / Minimum Residual Density .... 2.54 PLAT230_ALERT_2_C Hirshfeld Test Diff for C31 - C32 .. 5.24 su PLAT232_ALERT_2_C Hirshfeld Test Diff (M-X) Mn - C3 .. 6.15 su PLAT232_ALERT_2_C Hirshfeld Test Diff (M-X) Mn - C4 .. 7.23 su PLAT241_ALERT_2_C Check High Ueq as Compared to Neighbors for C49 PLAT320_ALERT_2_C Check Hybridisation of C1 in Main Residue . ? PLAT320_ALERT_2_C Check Hybridisation of C3 in Main Residue . ? PLAT366_ALERT_2_C Short? C(sp?)-C(sp?) Bond C1 - C2 ... 1.33 Ang.
Alert level G REFLT03_ALERT_4_G Please check that the estimate of the number of Friedel pairs is correct. If it is not, please give the correct count in the _publ_section_exptl_refinement section of the submitted CIF. From the CIF: _diffrn_reflns_theta_max 27.50 From the CIF: _reflns_number_total 9675 Count of symmetry unique reflns 5384 Completeness (_total/calc) 179.70% TEST3: Check Friedels for noncentro structure Estimate of Friedel pairs measured 4291 Fraction of Friedel pairs measured 0.797 Are heavy atom types Z>Si present yes
0 ALERT level A = In general: serious problem 1 ALERT level B = Potentially serious problem 9 ALERT level C = Check and explain 1 ALERT level G = General alerts; check 0 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 9 ALERT type 2 Indicator that the structure model may be wrong or deficient 0 ALERT type 3 Indicator that the structure quality may be low 2 ALERT type 4 Improvement, methodology, query or suggestion 0 ALERT type 5 Informative message, check

Comment top

The molecule of the title compound, (I), is the dinuclear complex containing the Mn and Pt atoms bridged by the µ-phenylvinylidene ligand and semi-bridged by carbonyl group. The phenyl ring and the C?C bond of vinylidene coupling with the Mn—Pt-µ-C triangle form an almost planar system. Corresponding geometry was found for the related MnPt complex with chelating bis(diphenylphosphino)methane at the Pt atom (Dolgushin et al., 2001). The structures of some µ-carbene complexes containing the Mn—Pt-µ-C triangle system as a molecular central fragment were reported (Jeffery et al., 1981).

Related literature top

Corresponding geometry in the related MnPt complex with the chelating bis(diphenylphosphino)methane ligand was reported by Dolgushin et al. (2001). For crystal structures of related µ-carbene complexes containing the Mn—Pt-µ-C triangle system, see: Jeffery et al. (1981). For details of the synthesis, see: Antonova et al. (1985).

Experimental top

The title compound was prepared by the interaction between Cp(CO)2Mn?C? CHPh and Pt(PPh3)4 (diethyl ether, 298 K, 1 h) (Antonova et al., 1985). Suitable single crystals were obtained by isothermal evaporation of an ether solution at 298 K.

Refinement top

Seven phenyl rings of the title molecule were idealized and refined as rigid groups with C—C bond lengths of 1.390 Å. All H atoms were positioned geometrically (C—H 0.93 Å) and refined using a riding model with Uiso(H) = 1.2 Ueq(C).

Structure description top

The molecule of the title compound, (I), is the dinuclear complex containing the Mn and Pt atoms bridged by the µ-phenylvinylidene ligand and semi-bridged by carbonyl group. The phenyl ring and the C?C bond of vinylidene coupling with the Mn—Pt-µ-C triangle form an almost planar system. Corresponding geometry was found for the related MnPt complex with chelating bis(diphenylphosphino)methane at the Pt atom (Dolgushin et al., 2001). The structures of some µ-carbene complexes containing the Mn—Pt-µ-C triangle system as a molecular central fragment were reported (Jeffery et al., 1981).

Corresponding geometry in the related MnPt complex with the chelating bis(diphenylphosphino)methane ligand was reported by Dolgushin et al. (2001). For crystal structures of related µ-carbene complexes containing the Mn—Pt-µ-C triangle system, see: Jeffery et al. (1981). For details of the synthesis, see: Antonova et al. (1985).

Computing details top

Data collection: SMART (Bruker, 1998); cell refinement: SMART; data reduction: SAINT (Bruker, 1998); program(s) used to solve structure: SHELXTL (Sheldrick, 1997); program(s) used to refine structure: SHELXTL; molecular graphics: SHELXTL; software used to prepare material for publication: SHELXTL.

Figures top
[Figure 1] Fig. 1. The molecular structure of the title compound with atomic labels and 50% probability displacement ellipsoids. All H-atoms, except H2, omitted for clarity.
µ-Carbonyl-1:2κ2C-carbonyl-1κC-(1η5-cyclopentadienyl)(µ- phenylvinylidene)bis(triphenylphosphine-2κP)manganeseplatinum(Mn—Pt) top
Crystal data top
[MnPt(C5H5)(C8H6)(C18H15P)2(CO)2]F(000) = 1984
Mr = 997.81Dx = 1.569 Mg m3
Orthorhombic, P212121Mo Kα radiation, λ = 0.71073 Å
Hall symbol: P 2ac 2abCell parameters from 9978 reflections
a = 11.1320 (4) Åθ = 2.4–27.5°
b = 19.4463 (7) ŵ = 3.72 mm1
c = 19.5174 (7) ÅT = 283 K
V = 4225.1 (3) Å3Block, red
Z = 40.29 × 0.17 × 0.14 mm
Data collection top
Bruker SMART 4K CCD area-detector
diffractometer
9675 independent reflections
Radiation source: sealed tube8974 reflections with I > 2σ(I)
Graphite monochromatorRint = 0.026
φ and ω scansθmax = 27.5°, θmin = 2.1°
Absorption correction: multi-scan
(SADABS; Sheldrick, 2004)
h = 1414
Tmin = 0.352, Tmax = 0.624k = 2525
37385 measured reflectionsl = 2525
Refinement top
Refinement on F2Secondary atom site location: difference Fourier map
Least-squares matrix: fullHydrogen site location: constr
R[F2 > 2σ(F2)] = 0.020H-atom parameters constrained
wR(F2) = 0.045 w = 1/[σ2(Fo2) + (0.0241P)2 + 2.8014P]
where P = (Fo2 + 2Fc2)/3
S = 0.95(Δ/σ)max = 0.011
9675 reflectionsΔρmax = 0.63 e Å3
433 parametersΔρmin = 0.25 e Å3
0 restraintsAbsolute structure: Flack (1983), 4291 Friedel pairs
Primary atom site location: structure-invariant direct methodsAbsolute structure parameter: 0.007 (3)
Crystal data top
[MnPt(C5H5)(C8H6)(C18H15P)2(CO)2]V = 4225.1 (3) Å3
Mr = 997.81Z = 4
Orthorhombic, P212121Mo Kα radiation
a = 11.1320 (4) ŵ = 3.72 mm1
b = 19.4463 (7) ÅT = 283 K
c = 19.5174 (7) Å0.29 × 0.17 × 0.14 mm
Data collection top
Bruker SMART 4K CCD area-detector
diffractometer
9675 independent reflections
Absorption correction: multi-scan
(SADABS; Sheldrick, 2004)
8974 reflections with I > 2σ(I)
Tmin = 0.352, Tmax = 0.624Rint = 0.026
37385 measured reflections
Refinement top
R[F2 > 2σ(F2)] = 0.020H-atom parameters constrained
wR(F2) = 0.045Δρmax = 0.63 e Å3
S = 0.95Δρmin = 0.25 e Å3
9675 reflectionsAbsolute structure: Flack (1983), 4291 Friedel pairs
433 parametersAbsolute structure parameter: 0.007 (3)
0 restraints
Special details top

Geometry. All e.s.d.'s (except the e.s.d. in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell e.s.d.'s are taken into account individually in the estimation of e.s.d.'s in distances, angles and torsion angles; correlations between e.s.d.'s in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell e.s.d.'s is used for estimating e.s.d.'s involving l.s. planes.

Refinement. Refinement of F2 against ALL reflections. The weighted R-factor wR and goodness of fit S are based on F2, conventional R-factors R are based on F, with F set to zero for negative F2. The threshold expression of F2 > σ(F2) is used only for calculating R-factors(gt) etc. and is not relevant to the choice of reflections for refinement. R-factors based on F2 are statistically about twice as large as those based on F, and R- factors based on ALL data will be even larger.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top
xyzUiso*/Ueq
Pt0.442096 (9)0.414461 (5)0.378591 (5)0.03419 (3)
Mn0.22734 (4)0.46992 (2)0.36592 (2)0.03741 (10)
C30.2363 (3)0.37832 (16)0.38176 (18)0.0476 (7)
O30.2169 (2)0.32086 (12)0.39299 (14)0.0623 (7)
C40.1687 (3)0.47710 (18)0.44942 (19)0.0527 (8)
O40.1316 (3)0.48242 (15)0.50469 (14)0.0829 (9)
C110.0687 (3)0.48385 (18)0.30666 (18)0.0572 (9)
H110.00550.46560.31900.069*
C120.1152 (3)0.54915 (18)0.32649 (17)0.0523 (8)
H120.07680.58110.35430.063*
C130.2283 (3)0.55672 (17)0.29704 (16)0.0465 (7)
H130.27840.59470.30150.056*
C140.2538 (3)0.49653 (17)0.25917 (15)0.0476 (7)
H140.32360.48770.23450.057*
C150.1545 (3)0.45249 (17)0.26547 (17)0.0535 (9)
H150.14730.40930.24540.064*
C10.3757 (2)0.50564 (15)0.40819 (14)0.0367 (6)
C20.4220 (3)0.56321 (15)0.43342 (16)0.0451 (7)
H20.49970.55840.45020.054*
C50.37250 (19)0.63388 (8)0.43978 (11)0.0466 (7)
C60.45344 (16)0.68831 (12)0.43990 (13)0.0639 (9)
H60.53550.67970.43720.077*
C70.4117 (2)0.75556 (10)0.44408 (13)0.0756 (12)
H70.46590.79200.44420.091*
C80.2891 (3)0.76837 (8)0.44814 (13)0.0763 (13)
H80.26120.81340.45090.092*
C90.20817 (18)0.71395 (12)0.44802 (12)0.0665 (11)
H90.12610.72250.45070.080*
C100.24987 (17)0.64670 (10)0.44383 (11)0.0509 (8)
H100.19570.61030.44380.061*
P10.61667 (6)0.41618 (4)0.43912 (3)0.03333 (14)
C160.58867 (16)0.41181 (11)0.53218 (7)0.0375 (6)
C170.67643 (14)0.38760 (11)0.57673 (10)0.0492 (8)
H170.74930.37180.55960.059*
C180.65531 (19)0.38708 (12)0.64692 (9)0.0590 (9)
H180.71400.37090.67670.071*
C190.5464 (2)0.41076 (13)0.67256 (7)0.0680 (10)
H190.53230.41040.71950.082*
C200.45865 (17)0.43497 (12)0.62802 (10)0.0678 (10)
H200.38580.45080.64520.081*
C210.47977 (15)0.43550 (11)0.55783 (10)0.0505 (8)
H210.42100.45170.52800.061*
C220.73105 (14)0.34921 (8)0.42635 (11)0.0349 (6)
C230.71731 (16)0.28461 (10)0.45581 (10)0.0481 (8)
H230.64980.27500.48220.058*
C240.8044 (2)0.23441 (8)0.44583 (12)0.0587 (9)
H240.79530.19120.46550.070*
C250.90533 (17)0.24880 (10)0.40639 (12)0.0617 (10)
H250.96360.21520.39970.074*
C260.91907 (14)0.31340 (11)0.37693 (12)0.0617 (9)
H260.98660.32300.35050.074*
C270.83193 (17)0.36360 (8)0.38691 (11)0.0512 (8)
H270.84110.40680.36720.061*
C280.70882 (17)0.49435 (9)0.42915 (11)0.0394 (7)
C290.7922 (2)0.51345 (10)0.47865 (10)0.0567 (9)
H290.80220.48670.51770.068*
C300.86057 (18)0.57258 (11)0.46976 (12)0.0675 (11)
H300.91630.58540.50290.081*
C310.8456 (2)0.61260 (9)0.41137 (13)0.0636 (10)
H310.89140.65220.40540.076*
C320.7623 (2)0.59349 (10)0.36187 (10)0.0669 (10)
H320.75230.62030.32280.080*
C330.69389 (18)0.53437 (11)0.37076 (10)0.0524 (8)
H330.63810.52160.33760.063*
P20.47665 (7)0.32551 (4)0.29914 (4)0.03942 (18)
C340.36562 (19)0.32082 (12)0.22906 (10)0.0497 (8)
C350.2647 (2)0.27973 (11)0.23820 (12)0.0650 (11)
H350.25700.25320.27760.078*
C360.1754 (2)0.27830 (14)0.18846 (17)0.0879 (15)
H360.10790.25080.19460.105*
C370.1870 (3)0.31797 (17)0.12958 (14)0.107 (2)
H370.12720.31700.09630.128*
C380.2879 (3)0.35906 (15)0.12044 (10)0.0996 (16)
H380.29560.38560.08100.120*
C390.3772 (2)0.36048 (12)0.17018 (12)0.0717 (11)
H390.44470.38800.16410.086*
C400.48294 (18)0.23474 (8)0.32309 (10)0.0408 (7)
C410.4953 (2)0.18370 (11)0.27372 (8)0.0534 (8)
H410.49830.19540.22760.064*
C420.5033 (2)0.11515 (9)0.29336 (12)0.0644 (10)
H420.51160.08100.26030.077*
C430.4989 (2)0.09763 (8)0.36236 (14)0.0696 (11)
H430.50420.05180.37550.083*
C440.4865 (2)0.14866 (12)0.41172 (9)0.0654 (10)
H440.48350.13690.45790.079*
C450.47853 (19)0.21722 (10)0.39209 (9)0.0514 (8)
H450.47020.25140.42510.062*
C460.61840 (18)0.34361 (13)0.25456 (11)0.0539 (9)
C470.6366 (3)0.41109 (12)0.23350 (14)0.0776 (12)
H470.57720.44390.24080.093*
C480.7435 (3)0.42947 (15)0.20160 (15)0.112 (2)
H480.75570.47460.18750.134*
C490.8322 (2)0.3804 (2)0.19075 (15)0.124 (3)
H490.90380.39270.16940.149*
C500.8140 (2)0.31289 (19)0.21181 (15)0.1025 (18)
H500.87340.28000.20460.123*
C510.7071 (2)0.29451 (12)0.24372 (13)0.0691 (11)
H510.69500.24940.25780.083*
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
Pt0.02976 (5)0.03379 (5)0.03903 (5)0.00328 (4)0.00323 (5)0.00160 (5)
Mn0.0300 (2)0.0391 (2)0.0431 (3)0.00275 (17)0.00165 (19)0.0078 (2)
C30.0390 (15)0.0498 (18)0.0541 (19)0.0004 (13)0.0131 (16)0.0089 (17)
O30.0487 (13)0.0455 (13)0.093 (2)0.0087 (10)0.0133 (13)0.0173 (13)
C40.0438 (18)0.055 (2)0.059 (2)0.0040 (16)0.0026 (17)0.0154 (17)
O40.090 (2)0.097 (2)0.0622 (17)0.0087 (17)0.0326 (16)0.0184 (15)
C110.0343 (17)0.069 (2)0.068 (2)0.0031 (18)0.0116 (18)0.0224 (18)
C120.0473 (18)0.057 (2)0.053 (2)0.0162 (16)0.0060 (15)0.0099 (16)
C130.0469 (18)0.0446 (17)0.0480 (18)0.0006 (14)0.0064 (15)0.0105 (14)
C140.0517 (19)0.054 (2)0.0376 (16)0.0057 (16)0.0038 (14)0.0048 (14)
C150.059 (2)0.0473 (19)0.054 (2)0.0007 (16)0.0217 (17)0.0066 (15)
C10.0316 (14)0.0388 (16)0.0396 (15)0.0069 (12)0.0003 (12)0.0027 (12)
C20.0403 (17)0.0436 (16)0.0514 (17)0.0076 (13)0.0065 (14)0.0063 (13)
C50.056 (2)0.0446 (18)0.0386 (17)0.0059 (15)0.0002 (14)0.0043 (14)
C60.072 (3)0.051 (2)0.068 (2)0.010 (2)0.005 (2)0.0109 (17)
C70.106 (3)0.041 (2)0.080 (3)0.008 (2)0.003 (2)0.0045 (19)
C80.120 (4)0.043 (2)0.066 (3)0.017 (2)0.013 (3)0.0073 (18)
C90.080 (3)0.061 (2)0.058 (2)0.027 (2)0.010 (2)0.0063 (18)
C100.059 (2)0.0469 (19)0.0462 (19)0.0103 (16)0.0040 (15)0.0026 (15)
P10.0283 (3)0.0347 (3)0.0370 (4)0.0017 (3)0.0003 (3)0.0014 (3)
C160.0362 (14)0.0360 (14)0.0403 (14)0.0019 (13)0.0017 (11)0.0037 (14)
C170.0465 (18)0.057 (2)0.0438 (18)0.0013 (15)0.0061 (14)0.0044 (14)
C180.076 (2)0.058 (2)0.0427 (18)0.0018 (18)0.0076 (17)0.0030 (15)
C190.100 (3)0.068 (2)0.0370 (16)0.004 (3)0.0128 (19)0.0091 (17)
C200.074 (2)0.074 (2)0.056 (2)0.0110 (19)0.023 (2)0.0104 (18)
C210.0527 (19)0.0512 (19)0.0475 (18)0.0101 (15)0.0081 (15)0.0024 (14)
C220.0291 (14)0.0395 (16)0.0363 (15)0.0046 (12)0.0008 (11)0.0031 (12)
C230.0418 (18)0.0488 (19)0.054 (2)0.0067 (14)0.0009 (15)0.0010 (15)
C240.067 (2)0.0404 (18)0.069 (2)0.0173 (17)0.0057 (19)0.0005 (16)
C250.053 (2)0.059 (2)0.073 (2)0.0256 (17)0.0055 (17)0.0111 (19)
C260.0396 (17)0.071 (2)0.075 (2)0.0102 (15)0.0130 (18)0.010 (2)
C270.0396 (16)0.0487 (17)0.065 (2)0.0065 (13)0.0086 (17)0.0031 (17)
C280.0326 (15)0.0343 (15)0.0513 (18)0.0027 (12)0.0053 (13)0.0041 (13)
C290.055 (2)0.0459 (19)0.069 (2)0.0013 (16)0.0159 (17)0.0033 (17)
C300.056 (2)0.041 (2)0.106 (3)0.0062 (16)0.017 (2)0.0147 (19)
C310.055 (2)0.0401 (18)0.095 (3)0.0094 (16)0.014 (2)0.0115 (19)
C320.081 (2)0.050 (2)0.070 (2)0.0014 (19)0.019 (2)0.0101 (19)
C330.0588 (19)0.0487 (17)0.0497 (19)0.0058 (15)0.0030 (17)0.0020 (16)
P20.0405 (4)0.0372 (4)0.0406 (4)0.0017 (3)0.0012 (3)0.0043 (3)
C340.062 (2)0.0414 (18)0.0456 (18)0.0124 (16)0.0118 (16)0.0120 (14)
C350.062 (2)0.046 (2)0.088 (3)0.0081 (17)0.028 (2)0.0165 (19)
C360.078 (3)0.065 (3)0.121 (4)0.014 (2)0.047 (3)0.040 (3)
C370.125 (4)0.111 (4)0.084 (4)0.050 (3)0.063 (3)0.050 (3)
C380.143 (5)0.111 (4)0.044 (2)0.042 (3)0.025 (3)0.007 (3)
C390.091 (3)0.079 (3)0.045 (2)0.018 (2)0.006 (2)0.0082 (19)
C400.0361 (15)0.0367 (16)0.0498 (17)0.0043 (12)0.0015 (12)0.0017 (13)
C410.0520 (19)0.0454 (19)0.063 (2)0.0126 (15)0.0006 (17)0.0043 (16)
C420.056 (2)0.045 (2)0.092 (3)0.0104 (17)0.003 (2)0.0141 (19)
C430.060 (2)0.044 (2)0.104 (3)0.0073 (16)0.000 (2)0.015 (2)
C440.055 (2)0.069 (3)0.072 (2)0.0015 (18)0.0058 (18)0.020 (2)
C450.0461 (17)0.0490 (18)0.059 (2)0.0055 (13)0.0013 (15)0.0006 (15)
C460.055 (2)0.066 (2)0.0409 (18)0.0111 (18)0.0037 (16)0.0115 (16)
C470.094 (3)0.075 (3)0.063 (2)0.031 (3)0.013 (2)0.004 (2)
C480.137 (5)0.121 (5)0.076 (3)0.074 (4)0.035 (3)0.009 (3)
C490.096 (4)0.199 (7)0.076 (3)0.075 (4)0.030 (3)0.046 (4)
C500.056 (3)0.168 (5)0.083 (3)0.017 (3)0.019 (2)0.045 (3)
C510.051 (2)0.092 (3)0.064 (2)0.005 (2)0.0084 (18)0.017 (2)
Geometric parameters (Å, º) top
Pt—C12.006 (3)C23—H230.9300
Pt—C32.397 (3)C24—C251.3900
Pt—P12.2745 (7)C24—H240.9300
Pt—P22.3548 (8)C25—C261.3900
Pt—Mn2.6344 (4)C25—H250.9300
Mn—C11.972 (3)C26—C271.3900
Mn—C31.811 (3)C26—H260.9300
Mn—C41.761 (4)C27—H270.9300
Mn—C112.129 (3)C28—C291.3900
Mn—C122.127 (3)C28—C331.3900
Mn—C132.158 (3)C29—C301.3900
Mn—C142.167 (3)C29—H290.9300
Mn—C152.149 (3)C30—C311.3900
C3—O31.159 (3)C30—H300.9300
C4—O41.160 (4)C31—C321.3900
C11—C151.390 (5)C31—H310.9300
C11—C121.425 (5)C32—C331.3900
C11—H110.9300C32—H320.9300
C12—C131.391 (5)C33—H330.9300
C12—H120.9300P2—C401.8273 (16)
C13—C141.413 (4)P2—C461.8359 (19)
C13—H130.9300P2—C341.8457 (18)
C14—C151.404 (5)C34—C351.3900
C14—H140.9300C34—C391.3900
C15—H150.9300C35—C361.3900
C1—C21.327 (4)C35—H350.9300
C2—C51.486 (3)C36—C371.3900
C2—H20.9300C36—H360.9300
C5—C61.3900C37—C381.3900
C5—C101.3900C37—H370.9300
C6—C71.3900C38—C391.3900
C6—H60.9300C38—H380.9300
C7—C81.3900C39—H390.9300
C7—H70.9300C40—C411.3900
C8—C91.3900C40—C451.3900
C8—H80.9300C41—C421.3900
C9—C101.3900C41—H410.9300
C9—H90.9300C42—C431.3900
C10—H100.9300C42—H420.9300
P1—C221.8382 (15)C43—C441.3900
P1—C281.8442 (16)C43—H430.9300
P1—C161.8448 (15)C44—C451.3900
C16—C171.3900C44—H440.9300
C16—C211.3900C45—H450.9300
C17—C181.3900C46—C471.3900
C17—H170.9300C46—C511.3900
C18—C191.3900C47—C481.3900
C18—H180.9300C47—H470.9300
C19—C201.3900C48—C491.3900
C19—H190.9300C48—H480.9300
C20—C211.3900C49—C501.3900
C20—H200.9300C49—H490.9300
C21—H210.9300C50—C511.3900
C22—C231.3900C50—H500.9300
C22—C271.3900C51—H510.9300
C23—C241.3900
C1—Pt—P198.76 (8)C21—C16—P1119.12 (11)
C1—Pt—P2154.04 (8)C16—C17—C18120.0
P1—Pt—P2102.31 (3)C16—C17—H17120.0
C1—Pt—C384.23 (11)C18—C17—H17120.0
P1—Pt—C3143.85 (8)C19—C18—C17120.0
P2—Pt—C387.58 (8)C19—C18—H18120.0
C1—Pt—Mn47.99 (8)C17—C18—H18120.0
P1—Pt—Mn144.90 (2)C20—C19—C18120.0
P2—Pt—Mn112.78 (2)C20—C19—H19120.0
C3—Pt—Mn41.86 (7)C18—C19—H19120.0
C4—Mn—C386.59 (16)C21—C20—C19120.0
C4—Mn—C184.00 (14)C21—C20—H20120.0
C3—Mn—C1103.22 (13)C19—C20—H20120.0
C4—Mn—C1293.44 (14)C20—C21—C16120.0
C3—Mn—C12143.79 (13)C20—C21—H21120.0
C1—Mn—C12112.80 (13)C16—C21—H21120.0
C4—Mn—C11100.66 (15)C23—C22—C27120.0
C3—Mn—C11105.29 (14)C23—C22—P1120.53 (11)
C1—Mn—C11151.32 (13)C27—C22—P1119.47 (11)
C12—Mn—C1139.13 (13)C22—C23—C24120.0
C4—Mn—C15135.80 (15)C22—C23—H23120.0
C3—Mn—C1591.22 (14)C24—C23—H23120.0
C1—Mn—C15138.88 (13)C25—C24—C23120.0
C12—Mn—C1564.06 (13)C25—C24—H24120.0
C11—Mn—C1537.91 (13)C23—C24—H24120.0
C4—Mn—C13121.09 (14)C24—C25—C26120.0
C3—Mn—C13151.11 (15)C24—C25—H25120.0
C1—Mn—C1388.91 (12)C26—C25—H25120.0
C12—Mn—C1337.89 (12)C25—C26—C27120.0
C11—Mn—C1364.29 (12)C25—C26—H26120.0
C15—Mn—C1363.70 (12)C27—C26—H26120.0
C4—Mn—C14157.10 (14)C26—C27—C22120.0
C3—Mn—C14113.05 (15)C26—C27—H27120.0
C1—Mn—C14101.79 (12)C22—C27—H27120.0
C12—Mn—C1463.82 (13)C29—C28—C33120.0
C11—Mn—C1463.89 (13)C29—C28—P1121.22 (12)
C15—Mn—C1437.96 (12)C33—C28—P1118.79 (12)
C13—Mn—C1438.14 (12)C30—C29—C28120.0
C4—Mn—Pt106.38 (11)C30—C29—H29120.0
C3—Mn—Pt62.03 (9)C28—C29—H29120.0
C1—Mn—Pt49.08 (8)C31—C30—C29120.0
C12—Mn—Pt149.66 (10)C31—C30—H30120.0
C11—Mn—Pt148.89 (11)C29—C30—H30120.0
C15—Mn—Pt111.32 (10)C30—C31—C32120.0
C13—Mn—Pt111.97 (9)C30—C31—H31120.0
C14—Mn—Pt93.71 (9)C32—C31—H31120.0
O3—C3—Mn166.0 (3)C33—C32—C31120.0
O3—C3—Pt117.7 (2)C33—C32—H32120.0
Mn—C3—Pt76.11 (11)C31—C32—H32120.0
O4—C4—Mn178.9 (4)C32—C33—C28120.0
C15—C11—C12107.3 (3)C32—C33—H33120.0
C15—C11—Mn71.82 (19)C28—C33—H33120.0
C12—C11—Mn70.36 (18)C40—P2—C46105.87 (11)
C15—C11—H11126.3C40—P2—C3499.64 (10)
C12—C11—H11126.3C46—P2—C34103.53 (11)
Mn—C11—H11123.2C40—P2—Pt123.19 (7)
C13—C12—C11108.1 (3)C46—P2—Pt108.16 (8)
C13—C12—Mn72.27 (18)C34—P2—Pt114.51 (8)
C11—C12—Mn70.51 (18)C35—C34—C39120.0
C13—C12—H12125.9C35—C34—P2118.32 (14)
C11—C12—H12125.9C39—C34—P2121.55 (14)
Mn—C12—H12122.9C36—C35—C34120.0
C12—C13—C14108.1 (3)C36—C35—H35120.0
C12—C13—Mn69.84 (18)C34—C35—H35120.0
C14—C13—Mn71.28 (18)C35—C36—C37120.0
C12—C13—H13126.0C35—C36—H36120.0
C14—C13—H13126.0C37—C36—H36120.0
Mn—C13—H13124.5C38—C37—C36120.0
C15—C14—C13107.5 (3)C38—C37—H37120.0
C15—C14—Mn70.31 (19)C36—C37—H37120.0
C13—C14—Mn70.58 (17)C39—C38—C37120.0
C15—C14—H14126.2C39—C38—H38120.0
C13—C14—H14126.2C37—C38—H38120.0
Mn—C14—H14124.5C38—C39—C34120.0
C11—C15—C14108.9 (3)C38—C39—H39120.0
C11—C15—Mn70.27 (19)C34—C39—H39120.0
C14—C15—Mn71.73 (18)C41—C40—C45120.0
C11—C15—H15125.5C41—C40—P2121.08 (12)
C14—C15—H15125.5C45—C40—P2118.90 (12)
Mn—C15—H15124.1C42—C41—C40120.0
C2—C1—Mn141.0 (2)C42—C41—H41120.0
C2—C1—Pt135.2 (2)C40—C41—H41120.0
Mn—C1—Pt82.93 (11)C41—C42—C43120.0
C1—C2—C5131.9 (3)C41—C42—H42120.0
C1—C2—H2114.1C43—C42—H42120.0
C5—C2—H2114.1C44—C43—C42120.0
C6—C5—C10120.0C44—C43—H43120.0
C6—C5—C2117.66 (18)C42—C43—H43120.0
C10—C5—C2122.32 (18)C43—C44—C45120.0
C5—C6—C7120.0C43—C44—H44120.0
C5—C6—H6120.0C45—C44—H44120.0
C7—C6—H6120.0C44—C45—C40120.0
C8—C7—C6120.0C44—C45—H45120.0
C8—C7—H7120.0C40—C45—H45120.0
C6—C7—H7120.0C47—C46—C51120.0
C9—C8—C7120.0C47—C46—P2116.51 (15)
C9—C8—H8120.0C51—C46—P2123.45 (15)
C7—C8—H8120.0C48—C47—C46120.0
C8—C9—C10120.0C48—C47—H47120.0
C8—C9—H9120.0C46—C47—H47120.0
C10—C9—H9120.0C47—C48—C49120.0
C9—C10—C5120.0C47—C48—H48120.0
C9—C10—H10120.0C49—C48—H48120.0
C5—C10—H10120.0C50—C49—C48120.0
C22—P1—C28100.62 (9)C50—C49—H49120.0
C22—P1—C16102.59 (9)C48—C49—H49120.0
C28—P1—C16103.64 (10)C49—C50—C51120.0
C22—P1—Pt120.73 (7)C49—C50—H50120.0
C28—P1—Pt115.63 (7)C51—C50—H50120.0
C16—P1—Pt111.49 (6)C50—C51—C46120.0
C17—C16—C21120.0C50—C51—H51120.0
C17—C16—P1120.84 (11)C46—C51—H51120.0

Experimental details

Crystal data
Chemical formula[MnPt(C5H5)(C8H6)(C18H15P)2(CO)2]
Mr997.81
Crystal system, space groupOrthorhombic, P212121
Temperature (K)283
a, b, c (Å)11.1320 (4), 19.4463 (7), 19.5174 (7)
V3)4225.1 (3)
Z4
Radiation typeMo Kα
µ (mm1)3.72
Crystal size (mm)0.29 × 0.17 × 0.14
Data collection
DiffractometerBruker SMART 4K CCD area-detector
Absorption correctionMulti-scan
(SADABS; Sheldrick, 2004)
Tmin, Tmax0.352, 0.624
No. of measured, independent and
observed [I > 2σ(I)] reflections
37385, 9675, 8974
Rint0.026
(sin θ/λ)max1)0.650
Refinement
R[F2 > 2σ(F2)], wR(F2), S 0.020, 0.045, 0.95
No. of reflections9675
No. of parameters433
H-atom treatmentH-atom parameters constrained
Δρmax, Δρmin (e Å3)0.63, 0.25
Absolute structureFlack (1983), 4291 Friedel pairs
Absolute structure parameter0.007 (3)

Computer programs: SMART (Bruker, 1998), SMART, SAINT (Bruker, 1998), SHELXTL (Sheldrick, 1997), SHELXTL.

Selected bond lengths (Å) top
Pt—C12.006 (3)Mn—C41.761 (4)
Pt—C32.397 (3)Mn—C112.129 (3)
Pt—P12.2745 (7)Mn—C122.127 (3)
Pt—P22.3548 (8)Mn—C132.158 (3)
Pt—Mn2.6344 (4)Mn—C142.167 (3)
Mn—C11.972 (3)Mn—C152.149 (3)
Mn—C31.811 (3)
 

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