Crystallography Open Database

Information card for entry 4311933

4311932 << 4311933 >> 4311934

Preview

Coordinates	4311933.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Br3 H17 N6 O2 Ru
Calculated formula	Br3 H14 N6 O2 Ru
Title of publication	Spectroscopic Properties and Electronic Structure of Pentammineruthenium(II) Dinitrogen Oxide and Corresponding Nitrosyl Complexes: Binding Mode of N2O and Reactivity
Authors of publication	Florian Paulat; Torben Kuschel; Christian Näther; V. K. K. Praneeth; Ole Sander; Nicolai Lehnert
Journal of publication	Inorganic Chemistry
Year of publication	2004
Journal volume	43
Pages of publication	6979 - 6994
a	12.2337 ± 0.0006 Å
b	6.9982 ± 0.0004 Å
c	14.5637 ± 0.001 Å
α	90°
β	90°
γ	90°
Cell volume	1246.85 ± 0.13 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
Space group number	62
Hermann-Mauguin space group symbol	P n m a
Hall space group symbol	-P 2ac 2n
Residual factor for all reflections	0.0548
Residual factor for significantly intense reflections	0.0292
Weighted residual factors for significantly intense reflections	0.0757
Weighted residual factors for all reflections included in the refinement	0.0842
Goodness-of-fit parameter for all reflections included in the refinement	1.034
Diffraction radiation wavelength	0.71073 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.	4311933.cif
120093	2014-07-12	Adding DOIs to range 4/31 structures.	4311933.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4311933.cif
3435	2010-11-15	../uploads/cif-deposit/cod/cif Adding structures of 4311933 via cif-deposit CGI script.	4311933.cif