Crystallography Open Database

Information card for entry 7014730

Preview

Coordinates	7014730.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H52 N4 O4 Zn4
Calculated formula	C20 H52 N4 O4 Zn4
SMILES	[Zn]12([O]3[Zn]4([O]5[Zn]([O]1[N]([Zn]([O]2[N]4(CC)CC)([N]5(CC)CC)C)(CC)CC)([N]3(CC)CC)C)C)C
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	9.171 ± 0.001 Å
b	17.464 ± 0.001 Å
c	19.446 ± 0.001 Å
α	90°
β	102.82 ± 0.01°
γ	90°
Cell volume	3036.9 ± 0.4 Å³
Cell temperature	198 ± 2 K
Ambient diffraction temperature	198 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.038
Residual factor for significantly intense reflections	0.0275
Weighted residual factors for significantly intense reflections	0.0602
Weighted residual factors for all reflections included in the refinement	0.0635
Goodness-of-fit parameter for all reflections included in the refinement	1.034
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.	7014730.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7014730.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7014730.cif
14835	2011-03-11	../uploads/cif-deposit/cod/cif Adding structures of 7014729, 7014730, 7014731, 7014732 via cif-deposit CGI script.	7014730.cif