Crystallography Open Database

Information card for entry 2006087

2006086 << 2006087 >> 2006088

Preview

Coordinates	2006087.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	μ-hydrido-μ-dicyclohexylphosphido-bis(dicyclohexylphosphine-tricarbonyl- rhenium)
Formula	C42 H69 O6 P3 Re2
Calculated formula	C42 H69 O6 P3 Re2
SMILES	C(#[O])[Re]1(C#[O])(C#[O])([H][Re]([P]1(C1CCCCC1)C1CCCCC1)(C#[O])(C#[O])(C#[O])[PH](C1CCCCC1)C1CCCCC1)[PH](C1CCCCC1)C1CCCCC1
Title of publication	μ-Hydrido-μ-dicyclohexylphosphido-bis[dicyclohexylphosphine(tricarbonyl)rhenium]
Authors of publication	Flörke, U.; Haupt, H.-J.
Journal of publication	Acta Crystallographica Section C
Year of publication	1997
Journal volume	53
Journal issue	4
Pages of publication	404 - 406
a	17.491 ± 0.004 Å
b	14.236 ± 0.003 Å
c	18.656 ± 0.004 Å
α	90°
β	100.24 ± 0.02°
γ	90°
Cell volume	4571.4 ± 1.8 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0784
Residual factor for significantly intense reflections	0.0424
Weighted residual factors for all reflections	0.0635
Weighted residual factors for significantly intense reflections	0.0575
Goodness-of-fit parameter for all reflections	0.944
Goodness-of-fit parameter for significantly intense reflections	1.063
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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