Crystallography Open Database

Information card for entry 4114568

Preview

Coordinates	4114568.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C56 H54 B Cu F4 N3 O2.5 P2
Calculated formula	C56 H49 B Cu F5 N3 O3 P2
Title of publication	Simple Cu(I) Complexes with Unprecedented Excited-State Lifetimes
Authors of publication	Douglas G. Cuttell; Shan-Ming Kuang; Phillip E. Fanwick; David R. McMillin; Richard A. Walton
Journal of publication	Journal of the American Chemical Society
Year of publication	2002
Journal volume	124
Pages of publication	6 - 7
a	12.9326 ± 0.0003 Å
b	14.321 ± 0.0003 Å
c	15.1443 ± 0.0004 Å
α	105.883 ± 0.0013°
β	99.3086 ± 0.0013°
γ	106.945 ± 0.0012°
Cell volume	2490.13 ± 0.11 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 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 significantly intense reflections	0.061
Weighted residual factors for all reflections included in the refinement	0.154
Goodness-of-fit parameter for all reflections included in the refinement	1.03
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MO-Kα
Has coordinates	Yes
Has disorder	No
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.	4114568.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4114568.cif
67898	2012-10-08	cif/ Adding structures of 4114568 via cif-deposit CGI script.	4114568.cif