Crystallography Open Database

Information card for entry 4063351

Preview

Coordinates	4063351.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C81 H56 B F24 P3 Ru
Calculated formula	C81 H56 B F24 P3 Ru
Title of publication	Reversibility of Disubstituted Vinylidene - Internal Alkyne Isomerization at Cationic Ruthenium and Iron Complexes
Authors of publication	Mutoh, Yuichiro; Imai, Kohei; Kimura, Yusuke; Ikeda, Yousuke; Ishii, Youichi
Journal of publication	Organometallics
Year of publication	2011
Journal volume	30
Journal issue	2
Pages of publication	204 - 207
a	25.14 ± 0.003 Å
b	18.189 ± 0.002 Å
c	16.2652 ± 0.0018 Å
α	90°
β	90°
γ	90°
Cell volume	7437.6 ± 1.5 Å³
Cell temperature	123.1 K
Ambient diffraction temperature	123.1 K
Number of distinct elements	6
Space group number	33
Hermann-Mauguin space group symbol	P n a 21
Hall space group symbol	P 2c -2n
Residual factor for significantly intense reflections	0.0398
Weighted residual factors for all reflections included in the refinement	0.0912
Goodness-of-fit parameter for all reflections included in the refinement	1.045
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4063351.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4063351.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4063351.cif
18119	2011-04-27	cif/4/ Correcting publication year in 8 recently deposited structures.	4063351.cif
17009	2011-03-31	../uploads/cif-deposit/cod/cif Adding structures of 4063349, 4063350, 4063351, 4063352, 4063353, 4063354, 4063355, 4063356 via cif-deposit CGI script.	4063351.cif