Crystallography Open Database

Information card for entry 1512711

Preview

Coordinates	1512711.cif

Structure parameters

Formula	C27 H31 F6 N4 O3 P Ru
Calculated formula	C27 H30 F6 N4 O3 P Ru
SMILES	[Ru]123([O]=C(O1)C)([n]1c(cccc1c1[n]2c(ccc1)C)C)[n]1c(cccc1c1[n]3c(ccc1)C)C.[P](F)(F)(F)(F)(F)[F-].OC
Title of publication	Sterically-directed disassembly of diruthenium(II,III) tetraacetate using substituted and unsubstituted 2,2'-bipyridines and 1,10-phenanthrolines
Authors of publication	Luc J. Boudreau; Terri L. Clarke; Adrian H. Murray; Katherine N. Robertson; T. Stanley Cameron; Manuel A.S. Aquino
Journal of publication	Inorganica Chimica Acta
Year of publication	2012
Journal volume	393
Pages of publication	152 - 158
a	14.5527 ± 0.0018 Å
b	14.5492 ± 0.0016 Å
c	15.2941 ± 0.0019 Å
α	90°
β	118.38 ± 0.0012°
γ	90°
Cell volume	2849 ± 0.6 Å³
Cell temperature	113.1 K
Ambient diffraction temperature	113.1 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/a 1
Hall space group symbol	-P 2yab
Residual factor for significantly intense reflections	0.0605
Weighted residual factors for all reflections included in the refinement	0.0666
Goodness-of-fit parameter for all reflections included in the refinement	1.023
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
176435 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries from ranges 1, 2.	1512711.cif
90778	2013-11-18	cif/ Adding structures of 1512711 via cif-deposit CGI script.	1512711.cif