Crystallography Open Database

Information card for entry 4103149

Preview

Coordinates	4103149.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C52 H46 Au2 N2 O7 P4
Calculated formula	C52 H46 Au2 N2 O7 P4
SMILES	[Au]([P](C=C[P](c1ccccc1)(c1ccccc1)[Au]1)(c2ccccc2)c2ccccc2)[P](C=C[P]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1.N(=O)(=O)[O-].N(=O)(=O)[O-].O
Title of publication	Guest Escape and Uptake in Nonporous Crystals of a Gold(I) Macrocycle
Authors of publication	Andrea Deák; Tünde Tunyogi; Zoltán Károly; Szilvia Klébert; Gábor Pálinkás
Journal of publication	Journal of the American Chemical Society
Year of publication	2010
Journal volume	132
Pages of publication	13627 - 13629
a	10.4897 ± 0.0004 Å
b	12.1851 ± 0.0004 Å
c	19.8709 ± 0.0011 Å
α	100.796 ± 0.002°
β	99.262 ± 0.002°
γ	93.058 ± 0.001°
Cell volume	2453.23 ± 0.19 Å³
Cell temperature	295 ± 2 K
Ambient diffraction temperature	295 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.084
Residual factor for significantly intense reflections	0.0627
Weighted residual factors for significantly intense reflections	0.1798
Weighted residual factors for all reflections included in the refinement	0.2188
Goodness-of-fit parameter for all reflections included in the refinement	1.081
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
178777 (current)	2016-03-21	cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/31.	4103149.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4103149.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4103149.cif
26104	2011-09-19	../uploads/cif-deposit/cod/cif Adding structures of 4103149 via cif-deposit CGI script.	4103149.cif