Crystallography Open Database

Information card for entry 4116695

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Coordinates	4116695.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C50 H72 Fe2 O2 P2 Ru
Calculated formula	C50 H72 Fe2 O2 P2 Ru
Title of publication	Effect of Ancillary Ligands on Ru(II) on Electronic Delocalization in Ruthenium(II) Bisferrocenylacetylide Complexes
Authors of publication	Yongbao Zhu; Olivier Clot; Michael O. Wolf; Glenn P. A. Yap
Journal of publication	Journal of the American Chemical Society
Year of publication	1998
Journal volume	120
Pages of publication	1812 - 1821
a	11.0317 ± 0.0002 Å
b	9.8241 ± 0.0002 Å
c	23.0161 ± 0.0001 Å
α	90°
β	93.117 ± 0.001°
γ	90°
Cell volume	2490.71 ± 0.07 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	6
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	0.0402
Residual factor for significantly intense reflections	0.0344
Weighted residual factors for all reflections	0.1237
Weighted residual factors for significantly intense reflections	0.1174
Goodness-of-fit parameter for all reflections	1.006
Goodness-of-fit parameter for significantly intense reflections	1.013
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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