Crystallography Open Database

Information card for entry 4107880

Preview

Coordinates	4107880.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	3235VWM
Formula	C39 H49 N5 O6 Ru
Calculated formula	C39 H49 N5 O6 Ru
Title of publication	Facile Concerted Proton-Electron Transfers in a Ruthenium Terpyridine-4'-Carboxylate Complex with a Long Distance Between the Redox and Basic Sites
Authors of publication	Virginia W. Manner; Antonio G. DiPasquale; James M. Mayer
Journal of publication	Journal of the American Chemical Society
Year of publication	2008
Journal volume	130
Pages of publication	7210 - 7211
a	20.4473 ± 0.001 Å
b	8.5753 ± 0.0004 Å
c	20.7023 ± 0.0011 Å
α	90°
β	95.704 ± 0.002°
γ	90°
Cell volume	3612 ± 0.3 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	0.0378
Residual factor for significantly intense reflections	0.0334
Weighted residual factors for significantly intense reflections	0.0769
Weighted residual factors for all reflections included in the refinement	0.079
Goodness-of-fit parameter for all reflections included in the refinement	1.055
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
204147 (current)	2017-12-11	cif/ Correcting the '_space_group.centring_type' data item enumeration values with the help of the cif_fix_values script from the cod-tools package revision 5887.	4107880.cif
178824	2016-03-21	cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/78.	4107880.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4107880.cif
56205	2012-05-09	cif/ Adding structures of 4107880 via cif-deposit CGI script.	4107880.cif