Crystallography Open Database

Information card for entry 1513253

Preview

Coordinates	1513253.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	tetrakis((μ~3~-iodo)-piperidine copper(I))
Formula	C20 H44 Cu4 I4 N4
Calculated formula	C20 H44 Cu4 I4 N4
SMILES	[I]12[Cu]3456([I]7[Cu]8914([I]1[Cu]4578([I]3[Cu]26914[NH]1CCCCC1)[NH]1CCCCC1)[NH]1CCCCC1)[NH]1CCCCC1
Title of publication	Optimizing the accuracy and precision of the single-pulse Laue technique for synchrotron photo-crystallography
Authors of publication	Kamiński, Radosław; Graber, Timothy; Benedict, Jason B.; Henning, Robert; Chen, Yu-Sheng; Scheins, Stephan; Messerschmidt, Marc; Coppens, Philip
Journal of publication	Journal of Synchrotron Radiation
Year of publication	2010
Journal volume	17
Journal issue	4
Pages of publication	479 - 485
a	14.6049 ± 0.0012 Å
b	14.6049 ± 0.0012 Å
c	7.5464 ± 0.0012 Å
α	90°
β	90°
γ	90°
Cell volume	1609.7 ± 0.3 Å³
Cell temperature	90 ± 2 K
Ambient diffraction temperature	90 ± 2 K
Number of distinct elements	5
Space group number	86
Hermann-Mauguin space group symbol	P 42/n :2
Hall space group symbol	-P 4bc
Residual factor for all reflections	0.031
Residual factor for significantly intense reflections	0.0239
Weighted residual factors for significantly intense reflections	0.0549
Weighted residual factors for all reflections included in the refinement	0.0602
Goodness-of-fit parameter for all reflections included in the refinement	1.106
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1513253.cif
99174	2014-01-30	cif/ Adding structures of 1513253 via cif-deposit CGI script.	1513253.cif