Crystallography Open Database

Information card for entry 7000813

Preview

Coordinates	7000813.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C29 H41 N3 O13 Ru3
Calculated formula	C29 H41 N3 O13 Ru3
Title of publication	A new route for substitution of the bridging acetate on the oxo-centered triruthenium acetate cluster
Authors of publication	Yuge, Hidetaka; Asahi, Shin-ichiro; Miyamoto, T. Ken
Journal of publication	Dalton Transactions
Year of publication	2009
Journal issue	13
Pages of publication	2287 - 2289
a	11.7307 ± 0.0014 Å
b	19.016 ± 0.002 Å
c	16.0314 ± 0.0019 Å
α	90°
β	97.1515 ± 0.0015°
γ	90°
Cell volume	3548.3 ± 0.7 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 1 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	0.0601
Residual factor for significantly intense reflections	0.0393
Weighted residual factors for significantly intense reflections	0.0915
Weighted residual factors for all reflections included in the refinement	0.1011
Goodness-of-fit parameter for all reflections included in the refinement	1.014
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
179686 (current)	2016-03-24	cif/7/00/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/00/08.	7000813.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7000813.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7000813.cif
1143	2010-05-03	cif/7/ Adding CIFs from Dalton-Trans-2009/ deposition.	7000813.cif