Crystallography Open Database

Information card for entry 2200859

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Structure parameters

Chemical name	Bis(μ-diethylphosphido)heptacarbonyl- α-ethoxybenzylidene-di-rhenium
Formula	C24 H30 O8 P2 Re2
Calculated formula	C24 H30 O8 P2 Re2
SMILES	[Re]1([P]([Re]([P]1(CC)CC)(C#[O])(C#[O])(C#[O])=C(OCC)c1ccccc1)(CC)CC)(C#[O])(C#[O])(C#[O])C#[O]
Title of publication	Heptacarbonyl(α-ethoxybenzylidene)di-μ-diethylphosphidodirhenium
Authors of publication	Flörke, Ulrich; Petters, Dina
Journal of publication	Acta Crystallographica Section E
Year of publication	2002
Journal volume	58
Journal issue	3
Pages of publication	m88 - m89
a	8.425 ± 0.002 Å
b	10.504 ± 0.001 Å
c	17.674 ± 0.004 Å
α	73.04 ± 0.01°
β	78.82 ± 0.01°
γ	88.59 ± 0.01°
Cell volume	1466.8 ± 0.5 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0556
Residual factor for significantly intense reflections	0.0377
Weighted residual factors for significantly intense reflections	0.0868
Weighted residual factors for all reflections included in the refinement	0.0958
Goodness-of-fit parameter for all reflections included in the refinement	0.983
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

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