Crystallography Open Database

Information card for entry 4316823

Preview

Coordinates	4316823.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H29 N4 O7 Rh S2
Calculated formula	C30 H29 N4 O7 Rh S2
Title of publication	Turn-Off-and-On: Chemosensing Ensembles for Sensing Chloride in Water by Fluorescence Spectroscopy
Authors of publication	Thomas Riis-Johannessen; Kurt Schenk; Kay Severin
Journal of publication	Inorganic Chemistry
Year of publication	2010
Journal volume	49
Pages of publication	9546 - 9553
a	16.4381 ± 0.0015 Å
b	11.4858 ± 0.0007 Å
c	17.6243 ± 0.0014 Å
α	90°
β	117.122 ± 0.006°
γ	90°
Cell volume	2961.6 ± 0.4 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	6
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	0.0853
Residual factor for significantly intense reflections	0.047
Weighted residual factors for significantly intense reflections	0.0686
Weighted residual factors for all reflections included in the refinement	0.076
Goodness-of-fit parameter for all reflections included in the refinement	1.018
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
179248 (current)	2016-03-23	cif/4/31/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/31/68.	4316823.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4316823.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4316823.cif
10331	2011-02-11	../uploads/cif-deposit/cod/cif Adding structures of 4316823 via cif-deposit CGI script.	4316823.cif