Crystallography Open Database

Information card for entry 4336563

Preview

Coordinates	4336563.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C168 H119 Au6 Cu2 F12 N6 O24 P8
Calculated formula	C168 H119 Au6 Cu2 F12 N6 O24 P8
Title of publication	New Supramolecular AuI-CuI Complex as Potential Luminescent Label for Proteins
Authors of publication	D. V. Krupenya; P. A. Snegurov; E. V. Grachova; V. V. Gurzhiy; S. P. Tunik; A. S. Melnikov; P. Yu. Serdobintsev; E. G. Vlakh; E. S. Sinitsyna; T. B. Tennikova
Journal of publication	Inorganic Chemistry
Year of publication	2013
Journal volume	52
Pages of publication	12521 - 12528
a	16.8212 ± 0.0007 Å
b	23.8437 ± 0.0011 Å
c	25.1182 ± 0.0011 Å
α	85.672 ± 0.003°
β	75.425 ± 0.002°
γ	70.659 ± 0.002°
Cell volume	9199.6 ± 0.7 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 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	0.1156
Residual factor for significantly intense reflections	0.0858
Weighted residual factors for significantly intense reflections	0.2325
Weighted residual factors for all reflections included in the refinement	0.2494
Goodness-of-fit parameter for all reflections included in the refinement	1.076
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
179468 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/65.	4336563.cif
102568	2014-02-21	cif/ Adding structures of 4336563 via cif-deposit CGI script.	4336563.cif