Crystallography Open Database

Information card for entry 7014731

Preview

Coordinates	7014731.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H59 N3 O4 Zn4
Calculated formula	C24 H59 N3 O4 Zn4
SMILES	[Zn]12(C(C)C)[O]3[Zn]4(C(C)C)[O]5[Zn](C(C)C)([N]3(CC)CC)[OH]2[Zn](C(C)C)([N]5(CC)CC)[O]4[N]1(CC)CC
Title of publication	Organozinc hydroxylamides: on the bulk-dependent interplay of nuclearity, structure and dynamics.
Authors of publication	Ullrich, Matthias; Berger, Raphael J. F.; Jana, Surajit; Pape, Tania; Fröhlich, Roland; Mitzel, Norbert W.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2011
Journal volume	40
Journal issue	5
Pages of publication	1144 - 1157
a	10.196 ± 0.001 Å
b	12.391 ± 0.001 Å
c	13.381 ± 0.001 Å
α	94.64 ± 0.01°
β	93.39 ± 0.01°
γ	90.32 ± 0.01°
Cell volume	1682 ± 0.2 Å³
Cell temperature	198 ± 2 K
Ambient diffraction temperature	198 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.053
Residual factor for significantly intense reflections	0.04
Weighted residual factors for significantly intense reflections	0.0883
Weighted residual factors for all reflections included in the refinement	0.0939
Goodness-of-fit parameter for all reflections included in the refinement	1.051
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
179851 (current)	2016-03-25	cif/7/01/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/01/47.	7014731.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7014731.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7014731.cif
14835	2011-03-11	../uploads/cif-deposit/cod/cif Adding structures of 7014729, 7014730, 7014731, 7014732 via cif-deposit CGI script.	7014731.cif