Crystallography Open Database

Information card for entry 4084754

Preview

Coordinates	4084754.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C100 H125 Au3 F18 N13 O5 P3
Calculated formula	C80 H56 Au3 F18 N13 P3
Title of publication	Synthesis of Nanometer-Sized Cylinder-Like Structures from a 1,3,5-Triphenylbenzene-Bridged Tris-NHC Ligand and AgI, AuI, and CuI
Authors of publication	Sinha, Narayan; Roelfes, Florian; Hepp, Alexander; Mejuto, Carmen; Peris, Eduardo; Hahn, F. Ekkehardt
Journal of publication	Organometallics
Year of publication	2014
Journal volume	33
Journal issue	23
Pages of publication	6898
a	20.4029 ± 0.0011 Å
b	13.2486 ± 0.0008 Å
c	33.8848 ± 0.0018 Å
α	90°
β	93.936 ± 0.003°
γ	90°
Cell volume	9137.8 ± 0.9 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	153 ± 2 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.1105
Residual factor for significantly intense reflections	0.0585
Weighted residual factors for significantly intense reflections	0.1473
Weighted residual factors for all reflections included in the refinement	0.1632
Goodness-of-fit parameter for all reflections included in the refinement	0.987
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
178736 (current)	2016-03-21	cif/4/08/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/08/47.	4084754.cif
131473	2015-02-07	cif/ Updating files of 4084754 Original log message: Adding full bibliography for 4084754.cif.	4084754.cif
127443	2014-11-16	cif/ Adding structures of 4084754 via cif-deposit CGI script.	4084754.cif