Crystallography Open Database

Information card for entry 4314127

Preview

Coordinates	4314127.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C67.26 H64.36 Cl1.16 F6 Fe N2 O0.42 P5 Ru
Calculated formula	C67.26 H64.36 Cl1.16 F6 Fe N2 O0.42 P5 Ru
Title of publication	Molecular QCA Cells. 1. Structure and Functionalization of an Unsymmetrical Dinuclear Mixed-Valence Complex for Surface Binding
Authors of publication	Zhaohui Li; Alicia M. Beatty; Thomas P. Fehlner
Journal of publication	Inorganic Chemistry
Year of publication	2003
Journal volume	42
Pages of publication	5707 - 5714
a	11.2685 ± 0.0004 Å
b	13.795 ± 0.0005 Å
c	21.1869 ± 0.0008 Å
α	102.406 ± 0.001°
β	103.527 ± 0.001°
γ	91.519 ± 0.001°
Cell volume	3117.1 ± 0.2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	9
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0388
Residual factor for significantly intense reflections	0.0344
Weighted residual factors for significantly intense reflections	0.0883
Weighted residual factors for all reflections included in the refinement	0.0914
Goodness-of-fit parameter for all reflections included in the refinement	1.034
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4314127.html