Crystallography Open Database

Information card for entry 4306508

Preview

Coordinates	4306508.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C48 H80 Cl6 N6 O7 Zn3
Calculated formula	C48 H78 Cl6 N6 O7 Zn3
Title of publication	Four Zinc(II) Helical Coordination Polymers and 78-Membered Six-Node Zinc Metallacycle Assembled from Diastereopure N,N'-Bis(acetylacetone)cyclohexanediimine
Authors of publication	Bi-Xue Zhu; Qi-Long Zhang; Yun-Qian Zhang; Tao Zhu; Jack K. Clegg; Leonard F. Lindoy; Gang Wei
Journal of publication	Inorganic Chemistry
Year of publication	2008
Journal volume	47
Pages of publication	10053 - 10061
a	15.9694 ± 0.0014 Å
b	43.457 ± 0.004 Å
c	9.0848 ± 0.0008 Å
α	90°
β	90°
γ	90°
Cell volume	6304.7 ± 1 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	18
Hermann-Mauguin space group symbol	P 21 21 2
Hall space group symbol	P 2 2ab
Residual factor for all reflections	0.096
Residual factor for significantly intense reflections	0.0517
Weighted residual factors for significantly intense reflections	0.1227
Weighted residual factors for all reflections included in the refinement	0.1373
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
179103 (current)	2016-03-23	cif/4/30/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/30/65.	4306508.cif
120081	2014-07-12	Adding DOIs to range 4/30 structures.	4306508.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4306508.cif
1167	2010-05-13	cif/ Adding data from the rest of 2009 RSC journals, Inorg-Chem-2008 and Chem-Comm-2010_18-19.	4306508.cif