Crystallography Open Database

Information card for entry 4311642

Preview

Coordinates	4311642.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C62 H48 N7 O3.5 Ru S
Calculated formula	C62 H48 N7 O3.5 Ru S
Title of publication	Fluorescence-Based Nitric Oxide Detection by Ruthenium Porphyrin Fluorophore Complexes
Authors of publication	Mi Hee Lim; Stephen J. Lippard
Journal of publication	Inorganic Chemistry
Year of publication	2004
Journal volume	43
Pages of publication	6366 - 6370
a	12.773 ± 0.003 Å
b	20.264 ± 0.004 Å
c	20.711 ± 0.004 Å
α	90°
β	107.79 ± 0.03°
γ	90°
Cell volume	5104 ± 2 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0636
Residual factor for significantly intense reflections	0.0514
Weighted residual factors for significantly intense reflections	0.1224
Weighted residual factors for all reflections included in the refinement	0.1293
Goodness-of-fit parameter for all reflections included in the refinement	1.099
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
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.	4311642.cif
120093	2014-07-12	Adding DOIs to range 4/31 structures.	4311642.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4311642.cif
3141	2010-11-13	../uploads/cif-deposit/cod/cif Adding structures of 4311642 via cif-deposit CGI script.	4311642.cif