Crystallography Open Database

Information card for entry 4323921

Preview

Coordinates	4323921.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	Complex 5
Formula	C42 H44 O8 Re2 W2
Calculated formula	C42 H42 O8 Re2 W2
Title of publication	Oxo Ligand Reactivity and Bonding in the Dinuclear W-Re Oxo-Acetylide Complex (η5-C5Me5)W(O)Re(CO)4(μ-H)(CCPh)
Authors of publication	Hsiao-Ling Wu; Guey-Lin Lu; Yun Chi; Louis J. Farrugia; Shie-Ming Peng; Gene-Hsiang Lee
Journal of publication	Inorganic Chemistry
Year of publication	1996
Journal volume	35
Pages of publication	6015 - 6020
a	8.8658 ± 0.001 Å
b	11.205 ± 0.0016 Å
c	11.22 ± 0.003 Å
α	77.421 ± 0.018°
β	77.627 ± 0.015°
γ	81.634 ± 0.02°
Cell volume	1056.9 ± 0.4 Å³
Cell temperature	293 K
Ambient diffraction temperature	293 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	0.057
Residual factor for significantly intense reflections	0.032
Weighted residual factors for all reflections	0.034
Weighted residual factors for significantly intense reflections	0.032
Goodness-of-fit parameter for significantly intense reflections	1.63
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MolybdenumKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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