Crystallography Open Database

Information card for entry 4103192

Preview

Coordinates	4103192.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C89 H64 B Cu F24 N2 O P2
Calculated formula	C89 H64 B Cu F24 N2 O P2
Title of publication	Oxygen Gas Sensing by Luminescence Quenching in Crystals of Cu(xantphos)(phen)+ Complexes
Authors of publication	Conor S. Smith; Charles W. Branham; Brian J. Marquardt; Kent R. Mann
Journal of publication	Journal of the American Chemical Society
Year of publication	2010
Journal volume	132
Pages of publication	14079 - 14085
a	20.755 ± 0.003 Å
b	21.087 ± 0.003 Å
c	39.817 ± 0.006 Å
α	102.684 ± 0.002°
β	90.297 ± 0.003°
γ	106.636 ± 0.002°
Cell volume	16246 ± 4 Å³
Cell temperature	123 ± 2 K
Ambient diffraction temperature	123 ± 2 K
Number of distinct elements	8
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1882
Residual factor for significantly intense reflections	0.0925
Weighted residual factors for significantly intense reflections	0.2414
Weighted residual factors for all reflections included in the refinement	0.3005
Goodness-of-fit parameter for all reflections included in the refinement	1.057
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
178777 (current)	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 4/10/31.	4103192.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4103192.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4103192.cif
26150	2011-09-19	../uploads/cif-deposit/cod/cif Adding structures of 4103192 via cif-deposit CGI script.	4103192.cif