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The title compound, [bis­(di­phenyl­phosphino)­methane-2κ2P,P′]-μ-carbonyl-1:2κC-carbonyl-1κC-[1(η5)-cyclo­penta­di­enyl](μ-phenyl­vinyl­idene-1:2κ2C)­manganeseplatinum­(MnPt) diethyl ether solvate, (η5-C5H5)(CO)(μ-CO)MnPt(μ-C=CHPh)(η2-Ph2PCH2PPh2)·Et2O or [MnPt(C5H5)(C8H6)(C25H22P2)(CO)2]·C4H10O, represents the first example of a structurally characterized μ-vinyl­idene Mn—Pt complex [Mn—Pt 2.6068 (10) Å]. Two metal atoms are bridged by a μ-phenyl­vinyl­idene ligand [Mn—C 1.924 (7), Pt—C 1.991 (6) and C=C 1.363 (9) Å] and an asymmetrical μ-carbonyl ligand [Mn—C 1.826 (7), Pt—C 2.212 (7), C—O 1.189 (8) Å, Mn—C—O 153.4 (6) and Pt—C—O 126.7 (5)°].

Supporting information

cif

Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536801017500/bt6085sup1.cif
Contains datablocks I, global

hkl

Structure factor file (CIF format) https://doi.org/10.1107/S1600536801017500/bt6085Isup2.hkl
Contains datablock I

CCDC reference: 175985

Key indicators

  • Single-crystal X-ray study
  • T = 110 K
  • Mean [sigma](C-C) = 0.010 Å
  • Disorder in solvent or counterion
  • R factor = 0.054
  • wR factor = 0.129
  • Data-to-parameter ratio = 21.0

checkCIF results

No syntax errors found

ADDSYM reports no extra symmetry


Yellow Alert Alert Level C:
PLAT_202 Alert C Isotropic non-H Atoms in Anion/Solvent = 5 PLAT_302 Alert C Anion/Solvent Disorder ....................... 50.00 Perc. PLAT_320 Alert C Check Hybridisation of C1 in main residue ? PLAT_320 Alert C Check Hybridisation of C3 in main residue ? General Notes
ABSTM_02 When printed, the submitted absorption T values will be replaced by the scaled T values. Since the ratio of scaled T's is identical to the ratio of reported T values, the scaling does not imply a change to the absorption corrections used in the study. Ratio of Tmax expected/reported 0.651 Tmax scaled 0.452 Tmin scaled 0.289
0 Alert Level A = Potentially serious problem
0 Alert Level B = Potential problem
4 Alert Level C = Please check

Comment top

No comment

Experimental top

The title compound was prepared according to a known procedure (Antonova et al., 1991). Suitable single crystals were obtained by isothermic evaporation of a solution in benzene–ether (2:1) at 258 K.

Refinement top

The solvate diethyl ether molecule is disordered over two positions with occupancies of 0.6 and 0.4. A l l atoms of the solvate molecules were refined isotropically and the C—O and C—C distances were restrained by the DFIX instruction to values of 1.426 and 1.530 Å, respectively (Allen et al., 1987). H atoms were placed in calculated positions with Uiso constrained to be 1.2 times Ueq of the carrier atom. The highest peak in the final difference map is 0.91 Å from the Mn atom.

Computing details top

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

Figures top
[Figure 1] Fig. 1. A view of the title compound showing the atom labeling and displacement ellipsoids at the 50% probability level. The H atoms of the phenyl groups and cyclopentadienyl ligand have been omitted for clarity.
[Bis(diphenylphosphino)methane-2κ2P,P']-µ-carbonyl-1:2κC-carbonyl-1κC- [1(η5)-cyclopentadienyl](µ-phenylvinylidene-1:2κ2C)manganeseplatinum- (Mn—Pt) diethyl ether solvate top
Crystal data top
[MnPt(C5H5)(C8H6)(C25H22P2)(CO)2]·C4H10ODx = 1.565 Mg m3
Mr = 931.75Mo Kα radiation, λ = 0.71073 Å
Orthorhombic, PbcaCell parameters from 932 reflections
a = 18.3417 (18) Åθ = 2–24°
b = 18.3164 (18) ŵ = 3.97 mm1
c = 23.547 (2) ÅT = 110 K
V = 7910.7 (14) Å3Prism, orange
Z = 80.4 × 0.2 × 0.2 mm
F(000) = 3712
Data collection top
CCD area detector
diffractometer
9557 independent reflections
Radiation source: fine-focus sealed tube5404 reflections with I > 2σ(I)
Graphite monochromatorRint = 0.070
ϕ and ω scansθmax = 28.1°, θmin = 1.7°
Absorption correction: multi-scan
(SADABS; Sheldrick, 1998)
h = 2423
Tmin = 0.443, Tmax = 0.694k = 2411
55551 measured reflectionsl = 3131
Refinement top
Refinement on F2Primary atom site location: structure-invariant direct methods
Least-squares matrix: fullSecondary atom site location: difference Fourier map
R[F2 > 2σ(F2)] = 0.054Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.129H-atom parameters constrained
S = 0.97 w = 1/[σ2(Fo2) + (0.06P)2]
where P = (Fo2 + 2Fc2)/3
9557 reflections(Δ/σ)max = 0.001
455 parametersΔρmax = 1.91 e Å3
8 restraintsΔρmin = 1.67 e Å3
Crystal data top
[MnPt(C5H5)(C8H6)(C25H22P2)(CO)2]·C4H10OV = 7910.7 (14) Å3
Mr = 931.75Z = 8
Orthorhombic, PbcaMo Kα radiation
a = 18.3417 (18) ŵ = 3.97 mm1
b = 18.3164 (18) ÅT = 110 K
c = 23.547 (2) Å0.4 × 0.2 × 0.2 mm
Data collection top
CCD area detector
diffractometer
9557 independent reflections
Absorption correction: multi-scan
(SADABS; Sheldrick, 1998)
5404 reflections with I > 2σ(I)
Tmin = 0.443, Tmax = 0.694Rint = 0.070
55551 measured reflections
Refinement top
R[F2 > 2σ(F2)] = 0.0548 restraints
wR(F2) = 0.129H-atom parameters constrained
S = 0.97Δρmax = 1.91 e Å3
9557 reflectionsΔρmin = 1.67 e Å3
455 parameters
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*/UeqOcc. (<1)
Pt10.044444 (12)0.367216 (14)0.326505 (10)0.02265 (9)
Mn10.01953 (5)0.38471 (6)0.42442 (4)0.0274 (2)
P10.16410 (9)0.37428 (10)0.29358 (7)0.0242 (4)
P20.04716 (9)0.31278 (9)0.23948 (7)0.0233 (4)
O30.1075 (2)0.4804 (3)0.4095 (2)0.0408 (13)
O40.1138 (3)0.5129 (3)0.4137 (2)0.0384 (12)
C10.0544 (3)0.3415 (4)0.3551 (3)0.0261 (15)
C20.1100 (3)0.3015 (3)0.3324 (3)0.0248 (14)
H2A0.10340.28410.29480.030*
C30.0602 (4)0.4371 (4)0.4022 (3)0.0329 (17)
C40.0762 (4)0.4626 (4)0.4161 (3)0.0308 (16)
C50.1790 (3)0.2829 (4)0.3605 (3)0.0253 (15)
C60.2163 (3)0.3290 (4)0.3968 (3)0.0307 (16)
H6A0.19770.37680.40290.037*
C70.2799 (4)0.3084 (4)0.4246 (3)0.0382 (18)
H7A0.30300.34130.45010.046*
C80.3098 (4)0.2393 (4)0.4153 (3)0.0373 (19)
H8A0.35360.22480.43370.045*
C90.2739 (4)0.1923 (4)0.3784 (3)0.0355 (17)
H9A0.29330.14490.37190.043*
C100.2107 (3)0.2130 (4)0.3508 (3)0.0308 (16)
H10A0.18810.18020.32500.037*
C110.0239 (4)0.3875 (4)0.5146 (3)0.0408 (19)
H11A0.03100.43250.53800.049*
C120.0801 (4)0.3434 (5)0.4936 (3)0.047 (2)
H12A0.13360.35000.50030.057*
C130.0467 (4)0.2844 (4)0.4656 (3)0.0407 (19)
H13A0.07290.24250.44750.049*
C140.0297 (4)0.2925 (4)0.4686 (3)0.042 (2)
H14A0.06730.25820.45330.050*
C150.0425 (4)0.3591 (4)0.4991 (3)0.0365 (17)
H15A0.09130.37970.50920.044*
C160.1459 (3)0.3207 (4)0.2284 (3)0.0302 (16)
H16A0.17080.27270.22860.036*
H16B0.15830.34780.19330.036*
C170.2152 (3)0.4545 (4)0.2706 (3)0.0267 (15)
C180.2718 (4)0.4482 (4)0.2319 (3)0.0342 (17)
H18A0.28100.40250.21420.041*
C190.3151 (4)0.5077 (4)0.2188 (3)0.0384 (18)
H19A0.35440.50270.19280.046*
C200.3005 (4)0.5750 (4)0.2441 (3)0.043 (2)
H20A0.33020.61610.23580.052*
C210.2445 (4)0.5814 (4)0.2801 (4)0.045 (2)
H21A0.23390.62780.29620.054*
C220.2008 (4)0.5213 (4)0.2948 (3)0.0401 (19)
H22A0.16200.52670.32110.048*
C230.2321 (3)0.3227 (3)0.3333 (3)0.0256 (15)
C240.2859 (3)0.2822 (4)0.3060 (3)0.0324 (17)
H24A0.28620.27850.26580.039*
C250.3386 (4)0.2477 (4)0.3377 (3)0.0365 (18)
H25A0.37450.21910.31900.044*
C260.3404 (4)0.2536 (4)0.3953 (4)0.044 (2)
H26A0.37770.23000.41640.053*
C270.2872 (4)0.2945 (5)0.4230 (3)0.049 (2)
H27A0.28810.29840.46320.058*
C280.2331 (4)0.3293 (4)0.3923 (3)0.0370 (18)
H28A0.19700.35740.41120.044*
C290.0043 (3)0.3587 (3)0.1806 (3)0.0270 (15)
C300.0548 (3)0.3999 (3)0.1862 (3)0.0342 (14)
H30A0.07250.40310.22410.041*
C310.0941 (4)0.4375 (4)0.1487 (4)0.045 (2)
H31A0.13690.46380.15860.054*
C320.0670 (4)0.4349 (5)0.0937 (3)0.048 (2)
H32A0.09110.46040.06400.057*
C330.0026 (5)0.3936 (5)0.0821 (3)0.047 (2)
H33A0.01670.39140.04460.056*
C340.0311 (4)0.3571 (5)0.1259 (3)0.047 (2)
H34A0.07410.32990.11830.056*
C350.0256 (3)0.2158 (4)0.2325 (3)0.0289 (16)
C360.0183 (4)0.1813 (4)0.1802 (3)0.0321 (16)
H36A0.02380.20820.14600.039*
C370.0028 (4)0.1072 (4)0.1783 (4)0.046 (2)
H37A0.00170.08350.14260.055*
C380.0061 (4)0.0676 (4)0.2273 (4)0.043 (2)
H38A0.01690.01700.22520.052*
C390.0006 (4)0.1006 (4)0.2791 (4)0.048 (2)
H39A0.00550.07310.31290.057*
C400.0165 (4)0.1757 (4)0.2819 (3)0.0322 (16)
H40A0.02100.19900.31780.039*
O1S0.3286 (6)0.4488 (6)0.5138 (5)0.059 (3)*0.60
C1S0.2886 (14)0.4251 (18)0.5619 (12)0.096 (12)*0.60
H1SA0.24250.40090.55090.115*0.60
H1SB0.27790.46600.58810.115*0.60
C2S0.3444 (10)0.3697 (9)0.5883 (7)0.078 (5)*0.60
H2SA0.32240.34600.62150.117*0.60
H2SB0.38860.39580.60000.117*0.60
H2SC0.35700.33250.56000.117*0.60
C3S0.2884 (10)0.5037 (10)0.4830 (8)0.079 (5)*0.60
H3SA0.28090.54710.50740.095*0.60
H3SB0.24000.48440.47210.095*0.60
C4S0.3317 (16)0.5252 (18)0.4294 (11)0.145 (12)*0.60
H4SA0.30380.56100.40740.218*0.60
H4SB0.34040.48170.40610.218*0.60
H4SC0.37850.54660.44060.218*0.60
O1S'0.3303 (8)0.4741 (9)0.4902 (7)0.060 (5)*0.40
C1S'0.2659 (12)0.4717 (14)0.5268 (10)0.074 (7)*0.40
H1SC0.22130.45710.50600.089*0.40
H1SD0.25750.51830.54710.089*0.40
C2S'0.295 (2)0.411 (2)0.5662 (17)0.083 (16)*0.40
H2SD0.25840.39980.59540.124*0.40
H2SE0.34010.42700.58440.124*0.40
H2SF0.30450.36660.54380.124*0.40
C3S'0.3145 (13)0.5298 (13)0.4506 (11)0.054 (6)*0.40
H3SC0.30670.57640.47100.065*0.40
H3SD0.26900.51770.43010.065*0.40
C4S'0.3766 (18)0.539 (2)0.4082 (14)0.139 (15)*0.40
H4SD0.36440.57740.38110.208*0.40
H4SE0.38390.49270.38770.208*0.40
H4SF0.42140.55160.42850.208*0.40
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
Pt10.01812 (13)0.02450 (14)0.02534 (14)0.00018 (11)0.00125 (10)0.00279 (12)
Mn10.0235 (5)0.0341 (6)0.0246 (5)0.0009 (4)0.0011 (4)0.0022 (5)
P10.0174 (8)0.0285 (10)0.0266 (9)0.0010 (7)0.0012 (7)0.0018 (8)
P20.0188 (8)0.0232 (9)0.0278 (9)0.0009 (7)0.0006 (7)0.0021 (7)
O30.030 (3)0.043 (3)0.050 (3)0.008 (2)0.005 (2)0.018 (3)
O40.034 (3)0.033 (3)0.049 (3)0.006 (2)0.003 (2)0.002 (3)
C10.025 (4)0.026 (3)0.027 (4)0.001 (3)0.000 (3)0.001 (3)
C20.027 (3)0.022 (3)0.026 (3)0.001 (3)0.000 (3)0.001 (3)
C30.040 (4)0.027 (4)0.032 (4)0.006 (3)0.000 (3)0.005 (3)
C40.024 (4)0.040 (4)0.028 (4)0.007 (3)0.004 (3)0.004 (3)
C50.025 (4)0.028 (4)0.023 (3)0.002 (3)0.005 (3)0.003 (3)
C60.026 (4)0.032 (4)0.034 (4)0.003 (3)0.002 (3)0.003 (3)
C70.029 (4)0.050 (5)0.036 (4)0.004 (4)0.002 (3)0.012 (4)
C80.023 (4)0.048 (5)0.041 (4)0.007 (3)0.006 (3)0.013 (4)
C90.035 (4)0.031 (4)0.040 (4)0.004 (3)0.008 (3)0.007 (4)
C100.024 (4)0.033 (4)0.036 (4)0.000 (3)0.002 (3)0.001 (3)
C110.061 (5)0.043 (5)0.018 (3)0.013 (4)0.004 (3)0.002 (3)
C120.039 (5)0.070 (6)0.032 (4)0.002 (4)0.003 (4)0.021 (4)
C130.056 (5)0.035 (4)0.031 (4)0.011 (4)0.007 (4)0.011 (3)
C140.054 (5)0.038 (4)0.033 (4)0.013 (4)0.002 (4)0.001 (4)
C150.033 (4)0.045 (5)0.032 (4)0.002 (4)0.011 (3)0.003 (4)
C160.020 (3)0.032 (4)0.039 (4)0.004 (3)0.003 (3)0.007 (3)
C170.021 (3)0.025 (4)0.035 (4)0.002 (3)0.002 (3)0.004 (3)
C180.032 (4)0.032 (4)0.039 (4)0.001 (3)0.005 (3)0.007 (3)
C190.036 (4)0.038 (4)0.041 (4)0.010 (4)0.011 (3)0.003 (4)
C200.039 (5)0.032 (4)0.058 (5)0.001 (4)0.010 (4)0.006 (4)
C210.048 (5)0.028 (4)0.058 (5)0.002 (4)0.010 (4)0.006 (4)
C220.032 (4)0.036 (4)0.053 (5)0.001 (3)0.008 (4)0.001 (4)
C230.023 (3)0.011 (3)0.043 (4)0.003 (2)0.003 (3)0.008 (3)
C240.023 (4)0.033 (4)0.041 (4)0.002 (3)0.004 (3)0.009 (3)
C250.021 (4)0.033 (4)0.055 (5)0.001 (3)0.001 (3)0.009 (4)
C260.036 (4)0.041 (5)0.056 (5)0.000 (4)0.005 (4)0.015 (4)
C270.051 (5)0.058 (6)0.037 (5)0.001 (4)0.009 (4)0.011 (4)
C280.037 (4)0.038 (4)0.036 (4)0.001 (3)0.004 (4)0.001 (4)
C290.017 (3)0.025 (4)0.039 (4)0.000 (3)0.001 (3)0.001 (3)
C300.027 (3)0.032 (3)0.042 (4)0.003 (2)0.016 (3)0.003 (3)
C310.027 (4)0.039 (5)0.069 (6)0.011 (3)0.004 (4)0.008 (4)
C320.056 (5)0.052 (5)0.035 (4)0.017 (4)0.012 (4)0.005 (4)
C330.065 (6)0.055 (5)0.021 (4)0.004 (4)0.009 (4)0.012 (4)
C340.048 (5)0.053 (6)0.040 (5)0.016 (4)0.001 (4)0.006 (4)
C350.023 (3)0.021 (3)0.043 (4)0.001 (3)0.001 (3)0.003 (3)
C360.026 (3)0.033 (4)0.037 (4)0.009 (3)0.003 (3)0.008 (3)
C370.026 (4)0.034 (4)0.077 (6)0.002 (3)0.012 (4)0.026 (5)
C380.038 (4)0.016 (4)0.076 (6)0.002 (3)0.000 (4)0.003 (4)
C390.047 (5)0.025 (4)0.072 (6)0.004 (4)0.011 (4)0.003 (4)
C400.032 (4)0.029 (4)0.035 (4)0.002 (3)0.008 (3)0.001 (3)
Geometric parameters (Å, º) top
Pt1—Mn12.6068 (10)C14—C151.435 (10)
Pt1—P12.3312 (16)C17—C221.374 (9)
Pt1—P22.2796 (17)C17—C181.386 (9)
Pt1—C11.991 (6)C18—C191.382 (9)
Pt1—C32.212 (7)C19—C201.395 (10)
Mn1—C11.924 (7)C20—C211.337 (10)
Mn1—C31.826 (7)C21—C221.404 (10)
Mn1—C41.775 (8)C23—C241.392 (9)
Mn1—C112.126 (7)C23—C281.395 (9)
Mn1—C122.112 (7)C24—C251.376 (9)
Mn1—C132.137 (7)C25—C261.359 (10)
Mn1—C142.178 (7)C26—C271.391 (11)
Mn1—C152.146 (7)C27—C281.384 (10)
P2—C291.801 (7)C29—C301.329 (8)
P2—C351.827 (7)C29—C341.379 (10)
P2—C161.835 (6)C30—C311.333 (9)
P1—C231.822 (6)C31—C321.386 (11)
P1—C171.825 (7)C32—C331.429 (11)
P1—C161.852 (7)C33—C341.378 (10)
O3—C31.189 (8)C35—C401.386 (9)
O4—C41.153 (8)C35—C361.391 (9)
C1—C21.363 (9)C36—C371.386 (11)
C2—C51.469 (9)C37—C381.372 (11)
C5—C61.383 (9)C38—C391.366 (11)
C5—C101.424 (9)C39—C401.408 (10)
C6—C71.390 (9)O1S—C1S1.418 (18)
C7—C81.397 (10)O1S—C3S1.442 (14)
C8—C91.388 (10)C1S—C2S1.570 (17)
C9—C101.382 (9)C3S—C4S1.543 (17)
C11—C151.373 (10)O1S'—C3S'1.412 (17)
C11—C121.401 (11)O1S'—C1S'1.464 (17)
C12—C131.407 (11)C1S'—C2S'1.548 (19)
C13—C141.410 (10)C3S'—C4S'1.524 (19)
C1—Pt1—C389.1 (3)Mn1—C3—Pt179.8 (3)
C1—Pt1—P2102.7 (2)O4—C4—Mn1176.3 (6)
C3—Pt1—P2166.9 (2)C6—C5—C10116.6 (6)
C1—Pt1—P1169.4 (2)C6—C5—C2124.2 (6)
C3—Pt1—P196.47 (19)C10—C5—C2119.3 (6)
P2—Pt1—P172.83 (6)C5—C6—C7122.6 (7)
C1—Pt1—Mn147.17 (19)C6—C7—C8120.1 (7)
C3—Pt1—Mn143.57 (19)C9—C8—C7118.2 (6)
P2—Pt1—Mn1149.17 (5)C10—C9—C8121.5 (7)
P1—Pt1—Mn1135.32 (5)C9—C10—C5120.9 (7)
C4—Mn1—C390.8 (3)C15—C11—C12109.9 (7)
C4—Mn1—C192.4 (3)C15—C11—Mn172.0 (4)
C3—Mn1—C1103.8 (3)C12—C11—Mn170.1 (4)
C4—Mn1—C1293.7 (3)C11—C12—C13106.7 (7)
C3—Mn1—C12146.2 (3)C11—C12—Mn171.3 (4)
C1—Mn1—C12109.4 (3)C13—C12—Mn171.6 (4)
C4—Mn1—C1194.0 (3)C12—C13—C14109.1 (7)
C3—Mn1—C11107.7 (3)C12—C13—Mn169.7 (4)
C1—Mn1—C11147.7 (3)C14—C13—Mn172.5 (4)
C12—Mn1—C1138.6 (3)C13—C14—C15106.1 (7)
C4—Mn1—C13127.2 (3)C13—C14—Mn169.3 (4)
C3—Mn1—C13140.3 (3)C15—C14—Mn169.4 (4)
C1—Mn1—C1387.3 (3)C11—C15—C14108.0 (7)
C12—Mn1—C1338.7 (3)C11—C15—Mn170.5 (4)
C11—Mn1—C1363.8 (3)C14—C15—Mn171.8 (4)
C4—Mn1—C15125.2 (3)P2—C16—P195.9 (3)
C3—Mn1—C1585.7 (3)C22—C17—C18119.3 (6)
C1—Mn1—C15141.4 (3)C22—C17—P1119.7 (5)
C12—Mn1—C1564.5 (3)C18—C17—P1120.8 (5)
C11—Mn1—C1537.5 (3)C19—C18—C17120.8 (7)
C13—Mn1—C1564.2 (3)C18—C19—C20119.4 (7)
C4—Mn1—C14156.6 (3)C21—C20—C19119.7 (7)
C3—Mn1—C14102.3 (3)C20—C21—C22121.7 (7)
C1—Mn1—C14102.9 (3)C17—C22—C21119.1 (7)
C12—Mn1—C1464.7 (3)C24—C23—C28119.8 (6)
C11—Mn1—C1463.7 (3)C24—C23—P1121.6 (5)
C13—Mn1—C1438.1 (3)C28—C23—P1118.4 (5)
C15—Mn1—C1438.8 (3)C25—C24—C23119.5 (7)
C4—Mn1—Pt1105.3 (2)C26—C25—C24121.4 (7)
C3—Mn1—Pt156.6 (2)C25—C26—C27119.6 (7)
C1—Mn1—Pt149.35 (19)C28—C27—C26120.3 (8)
C12—Mn1—Pt1151.0 (3)C27—C28—C23119.4 (7)
C11—Mn1—Pt1154.6 (2)C30—C29—C34113.3 (6)
C13—Mn1—Pt1113.6 (2)C30—C29—P2123.1 (5)
C15—Mn1—Pt1117.3 (2)C34—C29—P2123.6 (5)
C14—Mn1—Pt198.1 (2)C29—C30—C31132.0 (7)
C29—P2—C35106.9 (3)C30—C31—C32114.0 (7)
C29—P2—C16106.5 (3)C31—C32—C33119.6 (7)
C35—P2—C16106.1 (3)C34—C33—C32118.9 (7)
C29—P2—Pt1118.6 (2)C33—C34—C29122.0 (7)
C35—P2—Pt1120.1 (2)C40—C35—C36119.4 (6)
C16—P2—Pt196.6 (2)C40—C35—P2117.8 (5)
C23—P1—C17102.6 (3)C36—C35—P2122.9 (5)
C23—P1—C16105.9 (3)C37—C36—C35119.6 (7)
C17—P1—C16105.9 (3)C38—C37—C36121.0 (7)
C23—P1—Pt1116.4 (2)C39—C38—C37120.4 (7)
C17—P1—Pt1128.8 (2)C38—C39—C40119.6 (8)
C16—P1—Pt194.4 (2)C35—C40—C39120.2 (7)
C2—C1—Mn1143.2 (5)C1S—O1S—C3S110.5 (13)
C2—C1—Pt1132.5 (5)O1S—C1S—C2S100.3 (15)
Mn1—C1—Pt183.5 (2)O1S—C3S—C4S109.0 (17)
C1—C2—C5126.5 (6)C3S'—O1S'—C1S'104.1 (17)
O3—C3—Mn1153.4 (6)O1S'—C1S'—C2S'96 (2)
O3—C3—Pt1126.7 (5)O1S'—C3S'—C4S'111 (2)

Experimental details

Crystal data
Chemical formula[MnPt(C5H5)(C8H6)(C25H22P2)(CO)2]·C4H10O
Mr931.75
Crystal system, space groupOrthorhombic, Pbca
Temperature (K)110
a, b, c (Å)18.3417 (18), 18.3164 (18), 23.547 (2)
V3)7910.7 (14)
Z8
Radiation typeMo Kα
µ (mm1)3.97
Crystal size (mm)0.4 × 0.2 × 0.2
Data collection
DiffractometerCCD area detector
diffractometer
Absorption correctionMulti-scan
(SADABS; Sheldrick, 1998)
Tmin, Tmax0.443, 0.694
No. of measured, independent and
observed [I > 2σ(I)] reflections
55551, 9557, 5404
Rint0.070
(sin θ/λ)max1)0.663
Refinement
R[F2 > 2σ(F2)], wR(F2), S 0.054, 0.129, 0.97
No. of reflections9557
No. of parameters455
No. of restraints8
H-atom treatmentH-atom parameters constrained
Δρmax, Δρmin (e Å3)1.91, 1.67

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

Selected geometric parameters (Å, º) top
Pt1—Mn12.6068 (10)Mn1—C122.112 (7)
Pt1—P12.3312 (16)Mn1—C132.137 (7)
Pt1—P22.2796 (17)Mn1—C142.178 (7)
Pt1—C11.991 (6)Mn1—C152.146 (7)
Pt1—C32.212 (7)O3—C31.189 (8)
Mn1—C11.924 (7)O4—C41.153 (8)
Mn1—C31.826 (7)C1—C21.363 (9)
Mn1—C41.775 (8)C2—C51.469 (9)
Mn1—C112.126 (7)
C1—Pt1—C389.1 (3)C4—Mn1—C192.4 (3)
C1—Pt1—P2102.7 (2)C3—Mn1—C1103.8 (3)
C3—Pt1—P2166.9 (2)C2—C1—Mn1143.2 (5)
C1—Pt1—P1169.4 (2)C2—C1—Pt1132.5 (5)
C3—Pt1—P196.47 (19)Mn1—C1—Pt183.5 (2)
P2—Pt1—P172.83 (6)C1—C2—C5126.5 (6)
C1—Pt1—Mn147.17 (19)O3—C3—Mn1153.4 (6)
C3—Pt1—Mn143.57 (19)O3—C3—Pt1126.7 (5)
P2—Pt1—Mn1149.17 (5)Mn1—C3—Pt179.8 (3)
P1—Pt1—Mn1135.32 (5)O4—C4—Mn1176.3 (6)
C4—Mn1—C390.8 (3)P2—C16—P195.9 (3)
 

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