Crystallography Open Database

Information card for entry 4114569

Preview

Coordinates	4114569.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C51 H42 B Cl2 Cu F4 N2 O P2
Calculated formula	C51 H42 B Cl2 Cu F4 N2 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	10.7133 ± 0.0002 Å
b	14.7971 ± 0.0002 Å
c	28.8529 ± 0.0005 Å
α	90°
β	98.159 ± 0.0007°
γ	90°
Cell volume	4527.63 ± 0.13 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 K
Number of distinct elements	9
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for significantly intense reflections	0.062
Weighted residual factors for all reflections included in the refinement	0.161
Goodness-of-fit parameter for all reflections included in the refinement	1.05
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.	4114569.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4114569.cif
67899	2012-10-08	cif/ Adding structures of 4114569 via cif-deposit CGI script.	4114569.cif