Crystallography Open Database

Information card for entry 2006397

2006396 << 2006397 >> 2006398

Preview

Coordinates	2006397.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	Dicarbonylbis(η^5^-cyclopentadienyl)-(μ-1,4-η:4,5-η-1,4-pentadien- 1,4-diyl)oxoditungsten(W-W)
Formula	C17 H16 O3 W2
Calculated formula	C17 H16 O3 W2
SMILES	[W]123(C#[O])([cH]45)([cH]46)([cH]54)([cH]45)([cH]56)C(=O)[W]14(=O)([cH]15)([cH]16)([cH]51)([cH]15)([cH]56)C=CC[C]24=[CH2]3
Title of publication	Photochemical Reactions of Transition Metal Organyl Complexes with Olefins. 18. Dicarbonylbis(η^5^-cyclopentadienyl)(μ-1,4-η:4,5-η-1,4-pentadien-1,4-diyl)oxoditungsten(<i>W</i>—<i>W</i>)
Authors of publication	Kreiter, Cornelius G.; Schwarz, C. Bettina; Frank, Walter; Reiß, Guido J.
Journal of publication	Acta Crystallographica Section C
Year of publication	1997
Journal volume	53
Journal issue	8
Pages of publication	1018 - 1020
a	8.646 ± 0.0011 Å
b	10.849 ± 0.0013 Å
c	15.96 ± 0.0002 Å
α	90°
β	95.48 ± 0.02°
γ	90°
Cell volume	1490.2 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0314
Residual factor for significantly intense reflections	0.0284
Weighted residual factors for all reflections	0.0747
Weighted residual factors for significantly intense reflections	0.0733
Goodness-of-fit parameter for all reflections	1.136
Goodness-of-fit parameter for significantly intense reflections	1.16
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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