Crystallography Open Database

Information card for entry 4314125

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Coordinates	4314125.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C62 H53 Cl Fe P4 Ru
Calculated formula	C62 H53 Cl Fe P4 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	10.0782 ± 0.0005 Å
b	12.2991 ± 0.0007 Å
c	12.5576 ± 0.0007 Å
α	118.175 ± 0.001°
β	109.128 ± 0.001°
γ	90.888 ± 0.001°
Cell volume	1268.99 ± 0.12 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0389
Residual factor for significantly intense reflections	0.0379
Weighted residual factors for significantly intense reflections	0.0909
Weighted residual factors for all reflections included in the refinement	0.0913
Goodness-of-fit parameter for all reflections included in the refinement	1.31
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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