Crystallography Open Database

Information card for entry 4336346

Preview

Coordinates	4336346.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C60 H57 F6 O3 P5 Ru
Calculated formula	C60 H53 F6 O3 P5 Ru
Title of publication	Chiral Induction at Octahedral Ru(II) via the Disassembly of Diruthenium(II,III) Tetracarboxylates Using a Variety of Chiral Diphosphine Ligands
Authors of publication	Brandon R. Groves; D. Ian Arbuckle; Ernest Essoun; Travis L. Lundrigan; Ruiyao Wang; Manuel A.S. Aquino
Journal of publication	Inorganic Chemistry
Year of publication	2013
Journal volume	52
Pages of publication	11563 - 11572
a	24.472 ± 0.007 Å
b	12.277 ± 0.003 Å
c	37.226 ± 0.01 Å
α	90°
β	103.418 ± 0.004°
γ	90°
Cell volume	10879 ± 5 Å³
Cell temperature	180 ± 2 K
Ambient diffraction temperature	180 ± 2 K
Number of distinct elements	6
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	0.1869
Residual factor for significantly intense reflections	0.0766
Weighted residual factors for significantly intense reflections	0.1545
Weighted residual factors for all reflections included in the refinement	0.2101
Goodness-of-fit parameter for all reflections included in the refinement	1.002
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
179466 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/63.	4336346.cif
102324	2014-02-19	cif/ Adding structures of 4336346 via cif-deposit CGI script.	4336346.cif