Download citation
Download citation
link to html
The reaction of bis­(1,3-diphenylpropane-1,3-dionato)cobalt(II), [Co(dbm)2], with bis­(diphenyl­phosphino)ethane (dppe) affords the coordination polymer catena-poly[[bis­(1,3-diphenyl­propane-1,3-dionato-κ2O,O′)cobalt(II)]-μ-ethyl­enebis(diphenyl­phosphine oxide)-κ2O:O′], trans-[Co(C15H11O2)2(C26H24O2P2)]n, as a result of oxidation of the diphos­phine. The Co atom is octa­hedral, with a CoO6 coordination sphere, and the chelating dbm ligands adopt a trans configuration. The Co atom also lies on a centre of inversion, with a further symmetry centre bis­ecting the bridging ethyl­enebis(diphenyl­phosphine oxide) ligand.

Supporting information

cif

Crystallographic Information File (CIF) https://doi.org/10.1107/S010827010700933X/bg3025sup1.cif
Contains datablocks I, global

hkl

Structure factor file (CIF format) https://doi.org/10.1107/S010827010700933X/bg3025Isup2.hkl
Contains datablock I

CCDC reference: 645517

Computing details top

Data collection: XSCANS (Bruker, 2005); cell refinement: XSCANS; data reduction: SHELXTL (Bruker, 2005); program(s) used to solve structure: SHELXS97 (Sheldrick, 1997); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: SHELXTL; software used to prepare material for publication: SHELXTL.

catena-poly[[bis(1,3-diphenylpropane-1,3-dionato-κ2O,O')cobalt(II)]-µ- ethylenebis(diphenylphosphine oxide)-κ2O:O'] top
Crystal data top
[Co(C15H11O2)2(C26H24O2P2)]Z = 1
Mr = 935.80F(000) = 487
Triclinic, P1Dx = 1.388 Mg m3
a = 9.2994 (13) ÅMo Kα radiation, λ = 0.71073 Å
b = 10.9817 (16) ÅCell parameters from 3265 reflections
c = 11.6053 (17) Åθ = 2.3–25.5°
α = 85.816 (7)°µ = 0.51 mm1
β = 88.349 (6)°T = 150 K
γ = 71.349 (7)°Needle, yellow
V = 1119.9 (3) Å30.28 × 0.05 × 0.03 mm
Data collection top
Bruker SMART CCD area-detector
diffractometer
6735 independent reflections
Radiation source: fine-focus sealed tube4402 reflections with I > 2σ(I)
Graphite monochromatorRint = 0.072
Detector resolution: 100 pixels mm-1θmax = 30.6°, θmin = 1.8°
ω scansh = 1313
Absorption correction: multi-scan
(SADABS; Bruker, 2005)
k = 1515
Tmin = 0.871, Tmax = 0.985l = 1616
25062 measured reflections
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)] = 0.052Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.128H-atom parameters constrained
S = 1.02 w = 1/[σ2(Fo2) + (0.0568P)2 + 0.2891P]
where P = (Fo2 + 2Fc2)/3
6735 reflections(Δ/σ)max = 0.001
297 parametersΔρmax = 0.78 e Å3
0 restraintsΔρmin = 1.03 e Å3
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
Co10.50000.50000.50000.01582 (12)
P10.82725 (7)0.52995 (6)0.63897 (5)0.02107 (15)
O10.44835 (17)0.41252 (14)0.64826 (13)0.0187 (3)
O20.37298 (17)0.67215 (14)0.55574 (13)0.0187 (3)
O30.70143 (19)0.51250 (16)0.57770 (15)0.0281 (4)
C10.3873 (2)0.4670 (2)0.73829 (18)0.0152 (4)
C20.3903 (2)0.37899 (19)0.84355 (19)0.0151 (4)
C30.4118 (2)0.2488 (2)0.82934 (19)0.0181 (4)
H30.41860.21930.75380.022*
C40.4231 (3)0.1629 (2)0.9247 (2)0.0220 (5)
H40.43610.07500.91430.026*
C50.4156 (2)0.2046 (2)1.0352 (2)0.0211 (5)
H50.42490.14511.10040.025*
C60.3947 (2)0.3334 (2)1.0505 (2)0.0193 (5)
H60.39010.36211.12620.023*
C70.3805 (2)0.4199 (2)0.95525 (19)0.0183 (4)
H70.36390.50830.96620.022*
C80.3217 (2)0.6008 (2)0.74601 (19)0.0173 (4)
H80.27470.63000.81710.021*
C90.3206 (2)0.6944 (2)0.65677 (18)0.0155 (4)
C100.2531 (2)0.8343 (2)0.68035 (19)0.0163 (4)
C110.2469 (2)0.8775 (2)0.7906 (2)0.0183 (4)
H110.28530.81740.85420.022*
C120.1848 (3)1.0081 (2)0.8087 (2)0.0229 (5)
H120.18031.03660.88450.022 (6)*
C130.1297 (3)1.0964 (2)0.7158 (2)0.0240 (5)
H130.08721.18550.72790.029*
C140.1367 (3)1.0545 (2)0.6056 (2)0.0239 (5)
H140.09931.11490.54190.029*
C150.1985 (2)0.9241 (2)0.5879 (2)0.0201 (5)
H150.20350.89590.51190.024*
C160.8628 (2)0.4338 (2)0.7738 (2)0.0205 (5)
C170.9805 (3)0.4298 (2)0.8479 (2)0.0225 (5)
H171.04010.48490.83110.027*
C181.0103 (3)0.3460 (2)0.9453 (2)0.0238 (5)
H181.09040.34350.99540.040 (8)*
C190.9237 (3)0.2654 (2)0.9701 (2)0.0238 (5)
H190.94480.20771.03720.029*
C200.8060 (3)0.2686 (2)0.8975 (2)0.0236 (5)
H200.74620.21390.91520.028*
C210.7763 (2)0.3521 (2)0.7991 (2)0.0208 (5)
H210.69690.35370.74880.025*
C220.7916 (2)0.6984 (2)0.66172 (19)0.0194 (5)
C230.6501 (3)0.7835 (2)0.6286 (2)0.0215 (5)
H230.57850.75250.59390.026*
C240.6133 (3)0.9148 (2)0.6465 (2)0.0226 (5)
H240.51610.97240.62530.027*
C250.7182 (3)0.9602 (2)0.6950 (2)0.0231 (5)
H250.69301.04920.70730.028*
C260.8603 (3)0.8764 (2)0.7258 (2)0.0234 (5)
H260.93250.90850.75840.028*
C270.8976 (3)0.7463 (2)0.7094 (2)0.0229 (5)
H270.99530.68940.73050.027*
C281.0067 (3)0.4722 (2)0.5627 (2)0.0249 (5)
H28A1.08490.49700.60240.030*
H28B1.03940.37700.56420.030*
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
Co10.0174 (2)0.0126 (2)0.0158 (2)0.00230 (16)0.00190 (16)0.00218 (16)
P10.0234 (3)0.0175 (3)0.0206 (3)0.0040 (2)0.0037 (2)0.0027 (2)
O10.0219 (8)0.0150 (7)0.0186 (8)0.0048 (6)0.0019 (6)0.0034 (6)
O20.0213 (8)0.0154 (7)0.0173 (8)0.0032 (6)0.0019 (6)0.0012 (6)
O30.0307 (9)0.0231 (9)0.0287 (10)0.0060 (7)0.0029 (7)0.0014 (7)
C10.0119 (9)0.0154 (10)0.0188 (11)0.0049 (8)0.0001 (8)0.0006 (8)
C20.0108 (9)0.0140 (10)0.0203 (11)0.0037 (8)0.0011 (8)0.0005 (8)
C30.0190 (10)0.0154 (10)0.0195 (11)0.0042 (9)0.0007 (8)0.0034 (8)
C40.0240 (12)0.0149 (11)0.0270 (13)0.0063 (9)0.0026 (9)0.0011 (9)
C50.0200 (11)0.0190 (11)0.0222 (12)0.0043 (9)0.0002 (9)0.0031 (9)
C60.0168 (10)0.0221 (11)0.0184 (11)0.0053 (9)0.0005 (8)0.0026 (9)
C70.0169 (10)0.0165 (11)0.0209 (12)0.0043 (9)0.0013 (8)0.0023 (9)
C80.0190 (10)0.0143 (10)0.0171 (11)0.0033 (8)0.0022 (8)0.0016 (8)
C90.0133 (9)0.0150 (10)0.0177 (11)0.0034 (8)0.0001 (8)0.0024 (8)
C100.0132 (10)0.0136 (10)0.0219 (11)0.0041 (8)0.0008 (8)0.0018 (8)
C110.0146 (10)0.0168 (11)0.0227 (12)0.0038 (8)0.0012 (8)0.0004 (9)
C120.0225 (11)0.0208 (11)0.0265 (13)0.0069 (9)0.0025 (9)0.0087 (10)
C130.0241 (12)0.0133 (11)0.0336 (14)0.0042 (9)0.0022 (10)0.0043 (9)
C140.0258 (12)0.0157 (11)0.0269 (13)0.0030 (9)0.0001 (10)0.0025 (9)
C150.0220 (11)0.0175 (11)0.0206 (12)0.0061 (9)0.0021 (9)0.0025 (9)
C160.0179 (11)0.0150 (10)0.0246 (12)0.0006 (9)0.0043 (9)0.0049 (9)
C170.0220 (11)0.0191 (11)0.0264 (13)0.0055 (9)0.0011 (9)0.0067 (9)
C180.0202 (11)0.0225 (12)0.0263 (13)0.0024 (9)0.0015 (9)0.0061 (10)
C190.0224 (12)0.0223 (12)0.0210 (12)0.0002 (10)0.0010 (9)0.0002 (9)
C200.0200 (11)0.0243 (12)0.0263 (13)0.0074 (10)0.0031 (9)0.0000 (10)
C210.0144 (10)0.0207 (11)0.0252 (12)0.0023 (9)0.0002 (9)0.0021 (9)
C220.0199 (11)0.0179 (11)0.0201 (11)0.0060 (9)0.0065 (9)0.0020 (9)
C230.0183 (11)0.0218 (11)0.0259 (13)0.0083 (9)0.0025 (9)0.0028 (9)
C240.0185 (11)0.0215 (12)0.0264 (13)0.0050 (9)0.0018 (9)0.0002 (9)
C250.0263 (12)0.0196 (11)0.0244 (13)0.0090 (10)0.0043 (10)0.0021 (9)
C260.0222 (11)0.0259 (12)0.0243 (13)0.0112 (10)0.0003 (9)0.0003 (10)
C270.0189 (11)0.0222 (12)0.0262 (13)0.0051 (9)0.0006 (9)0.0005 (10)
C280.0280 (13)0.0196 (12)0.0227 (12)0.0022 (10)0.0041 (10)0.0009 (9)
Geometric parameters (Å, º) top
Co1—O2i2.0234 (15)C12—C131.389 (3)
Co1—O22.0234 (14)C12—H120.9500
Co1—O1i2.0299 (15)C13—C141.383 (3)
Co1—O12.0299 (15)C13—H130.9500
Co1—O32.1495 (17)C14—C151.391 (3)
Co1—O3i2.1495 (17)C14—H140.9500
P1—O31.4569 (18)C15—H150.9500
P1—C161.800 (2)C16—C211.395 (3)
P1—C221.810 (2)C16—C171.399 (3)
P1—C281.814 (2)C17—C181.380 (3)
O1—C11.269 (2)C17—H170.9500
O2—C91.267 (3)C18—C191.386 (3)
C1—C81.409 (3)C18—H180.9500
C1—C21.496 (3)C19—C201.390 (3)
C2—C71.394 (3)C19—H190.9500
C2—C31.400 (3)C20—C211.387 (3)
C3—C41.384 (3)C20—H200.9500
C3—H30.9500C21—H210.9500
C4—C51.385 (3)C22—C231.394 (3)
C4—H40.9500C22—C271.400 (3)
C5—C61.389 (3)C23—C241.400 (3)
C5—H50.9500C23—H230.9500
C6—C71.385 (3)C24—C251.379 (3)
C6—H60.9500C24—H240.9500
C7—H70.9500C25—C261.387 (3)
C8—C91.402 (3)C25—H250.9500
C8—H80.9500C26—C271.385 (3)
C9—C101.505 (3)C26—H260.9500
C10—C111.390 (3)C27—H270.9500
C10—C151.392 (3)C28—C28ii1.529 (5)
C11—C121.393 (3)C28—H28A0.9900
C11—H110.9500C28—H28B0.9900
O2i—Co1—O2180.00 (8)C12—C11—H11119.7
O2i—Co1—O1i89.15 (6)C13—C12—C11119.9 (2)
O2—Co1—O1i90.85 (6)C13—C12—H12120.1
O2i—Co1—O190.85 (6)C11—C12—H12120.1
O2—Co1—O189.15 (6)C14—C13—C12119.9 (2)
O1i—Co1—O1180.00 (8)C14—C13—H13120.0
O2i—Co1—O387.97 (6)C12—C13—H13120.0
O2—Co1—O392.03 (6)C13—C14—C15120.1 (2)
O1i—Co1—O389.44 (6)C13—C14—H14120.0
O1—Co1—O390.56 (6)C15—C14—H14120.0
O2i—Co1—O3i92.03 (6)C14—C15—C10120.6 (2)
O2—Co1—O3i87.97 (6)C14—C15—H15119.7
O1i—Co1—O3i90.56 (6)C10—C15—H15119.7
O1—Co1—O3i89.44 (6)C21—C16—C17119.4 (2)
O3—Co1—O3i180.0C21—C16—P1117.50 (18)
O3—P1—C16111.21 (11)C17—C16—P1122.83 (18)
O3—P1—C22110.62 (10)C18—C17—C16120.2 (2)
C16—P1—C22110.94 (11)C18—C17—H17119.9
O3—P1—C28112.83 (11)C16—C17—H17119.9
C16—P1—C28102.96 (10)C17—C18—C19120.1 (2)
C22—P1—C28108.04 (11)C17—C18—H18119.9
C1—O1—Co1126.65 (13)C19—C18—H18119.9
C9—O2—Co1126.76 (14)C18—C19—C20120.3 (2)
P1—O3—Co1173.88 (11)C18—C19—H19119.8
O1—C1—C8125.2 (2)C20—C19—H19119.8
O1—C1—C2115.72 (18)C21—C20—C19119.7 (2)
C8—C1—C2119.04 (19)C21—C20—H20120.1
C7—C2—C3118.7 (2)C19—C20—H20120.1
C7—C2—C1122.66 (18)C20—C21—C16120.2 (2)
C3—C2—C1118.57 (19)C20—C21—H21119.9
C4—C3—C2120.4 (2)C16—C21—H21119.9
C4—C3—H3119.8C23—C22—C27119.3 (2)
C2—C3—H3119.8C23—C22—P1116.99 (17)
C3—C4—C5120.3 (2)C27—C22—P1123.72 (17)
C3—C4—H4119.9C22—C23—C24120.0 (2)
C5—C4—H4119.9C22—C23—H23120.0
C4—C5—C6119.9 (2)C24—C23—H23120.0
C4—C5—H5120.0C25—C24—C23120.0 (2)
C6—C5—H5120.0C25—C24—H24120.0
C7—C6—C5119.9 (2)C23—C24—H24120.0
C7—C6—H6120.1C24—C25—C26120.2 (2)
C5—C6—H6120.1C24—C25—H25119.9
C6—C7—C2120.8 (2)C26—C25—H25119.9
C6—C7—H7119.6C27—C26—C25120.4 (2)
C2—C7—H7119.6C27—C26—H26119.8
C9—C8—C1125.0 (2)C25—C26—H26119.8
C9—C8—H8117.5C26—C27—C22120.1 (2)
C1—C8—H8117.5C26—C27—H27120.0
O2—C9—C8125.63 (19)C22—C27—H27120.0
O2—C9—C10115.65 (18)C28ii—C28—P1111.3 (2)
C8—C9—C10118.72 (18)C28ii—C28—H28A109.4
C11—C10—C15118.85 (19)P1—C28—H28A109.4
C11—C10—C9122.41 (19)C28ii—C28—H28B109.4
C15—C10—C9118.72 (19)P1—C28—H28B109.4
C10—C11—C12120.7 (2)H28A—C28—H28B108.0
C10—C11—H11119.7
Symmetry codes: (i) x+1, y+1, z+1; (ii) x+2, y+1, z+1.
 

Follow Acta Cryst. C
Sign up for e-alerts
Follow Acta Cryst. on Twitter
Follow us on facebook
Sign up for RSS feeds