Crystallography Open Database

Information card for entry 4311643

Preview

Coordinates	4311643.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C62.5 H51 Cl3 N6 O3 Ru S2
Calculated formula	C62.5 H51 Cl3 N6 O3 Ru S2
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	11.241 ± 0.002 Å
b	15.233 ± 0.003 Å
c	16.615 ± 0.003 Å
α	97 ± 0.03°
β	97.9 ± 0.03°
γ	103 ± 0.03°
Cell volume	2711.2 ± 1 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1321
Residual factor for significantly intense reflections	0.0744
Weighted residual factors for significantly intense reflections	0.1489
Weighted residual factors for all reflections included in the refinement	0.1758
Goodness-of-fit parameter for all reflections included in the refinement	1.032
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.	4311643.cif
120093	2014-07-12	Adding DOIs to range 4/31 structures.	4311643.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4311643.cif
3142	2010-11-13	../uploads/cif-deposit/cod/cif Adding structures of 4311643 via cif-deposit CGI script.	4311643.cif