Crystallography Open Database

Information card for entry 4064025

Preview

Coordinates	4064025.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C51 H39 N7 P2 Ru
Calculated formula	C51 H39 N7 P2 Ru
Title of publication	A Percyanovinylidene−Ruthenium Complex, Ru{═C═C5(CN)3[═C(CN)2]2}(dppe)Cp*
Authors of publication	Bruce, Michael I.; Morris, Jonathan C.; Nicholson, Brian K.; Skelton, Brian W.; White, Allan H.; Zaitseva, Natasha N.
Journal of publication	Organometallics
Year of publication	2011
Journal volume	30
Journal issue	3
Pages of publication	653
a	17.2203 ± 0.0006 Å
b	12.527 ± 0.002 Å
c	22.52 ± 0.002 Å
α	90°
β	101.908 ± 0.005°
γ	90°
Cell volume	4753.4 ± 0.9 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.1001
Residual factor for significantly intense reflections	0.0589
Weighted residual factors for significantly intense reflections	0.1387
Weighted residual factors for all reflections included in the refinement	0.1485
Goodness-of-fit parameter for all reflections included in the refinement	1.056
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
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	4064025.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4064025.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4064025.cif
32758	2012-02-10	../uploads/cif-deposit/cod/cif Adding structures of 4064025 via cif-deposit CGI script.	4064025.cif