Crystallography Open Database

Information card for entry 4114570

Preview

Coordinates	4114570.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C58 H55 B Cu F4 N3 O P2
Calculated formula	C58 H55 B Cu F4 N3 O 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	11.6779 ± 0.0002 Å
b	14.0495 ± 0.0002 Å
c	17.6505 ± 0.0003 Å
α	77.3452 ± 0.0006°
β	71.4646 ± 0.0007°
γ	66.7766 ± 0.0006°
Cell volume	2508.57 ± 0.07 Å³
Cell temperature	149 K
Ambient diffraction temperature	149 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	0.049
Weighted residual factors for all reflections included in the refinement	0.125
Goodness-of-fit parameter for all reflections included in the refinement	1.037
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.	4114570.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4114570.cif
67900	2012-10-08	cif/ Adding structures of 4114570 via cif-deposit CGI script.	4114570.cif