Crystallography Open Database

Information card for entry 4320267

4320266 << 4320267 >> 4320268

Preview

Coordinates	4320267.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	compound_9
Formula	C28 H45 Au Cl4 N2 O17
Calculated formula	C28 H37 Au Cl4 N2 O17
Title of publication	Oxonium Ions from Aqua Regia: Isolation by Hydrogen Bonding to Crown Ethers
Authors of publication	Maria Calleja; Karin Johnson; Warwick J. Belcher; Jonathan W. Steed
Journal of publication	Inorganic Chemistry
Year of publication	2001
Journal volume	40
Pages of publication	4978 - 4985
a	11.4366 ± 0.0009 Å
b	13.6666 ± 0.0015 Å
c	24.949 ± 0.003 Å
α	90°
β	90.487 ± 0.006°
γ	90°
Cell volume	3899.4 ± 0.7 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
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	0.1681
Residual factor for significantly intense reflections	0.0927
Weighted residual factors for significantly intense reflections	0.1648
Weighted residual factors for all reflections included in the refinement	0.1893
Goodness-of-fit parameter for all reflections included in the refinement	1.09
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
179305 (current)	2016-03-23	cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/02.	4320267.cif
120105	2014-07-12	Adding DOIs to range 4/32 structures.	4320267.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4320267.cif
17169	2011-04-04	../uploads/cif-deposit/cod/cif Adding structures of 4320267 via cif-deposit CGI script.	4320267.cif