Crystallography Open Database

Information card for entry 2017654

2017653 << 2017654 >> 2017655

Preview

Coordinates	2017654.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	poly[diaqua(μ~2~-4,4'-bipyridine)(μ~2~-4-carboxylatocinnamato)nickel(II)]
Formula	C20 H18 N2 Ni O6
Calculated formula	C20 H18 N2 Ni O6
Title of publication	An unusual three-dimensional chiral threefold polycatenating network self-assembled from inclined two-dimensional (4,4) layer motifs
Authors of publication	Wang, Suna; Wang, Daqi; Dou, Jianmin; Li, Dacheng
Journal of publication	Acta Crystallographica Section C
Year of publication	2010
Journal volume	66
Journal issue	5
Pages of publication	m141 - m144
a	11.261 ± 0.002 Å
b	11.261 ± 0.002 Å
c	13.495 ± 0.006 Å
α	90°
β	90°
γ	120°
Cell volume	1482 ± 0.8 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	5
Space group number	145
Hermann-Mauguin space group symbol	P 32
Hall space group symbol	P 32
Residual factor for all reflections	0.1076
Residual factor for significantly intense reflections	0.0714
Weighted residual factors for significantly intense reflections	0.1806
Weighted residual factors for all reflections included in the refinement	0.2108
Goodness-of-fit parameter for all reflections included in the refinement	1.06
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
176760 (current)	2016-02-20	cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01.	2017654.cif
125873	2014-10-25	cod/ (saulius@koala.ibt.lt) Adding DOIs to 1887 Acta Cryst. CIFs, their DOIs fetched using ACCE codes.	2017654.cif
26848	2011-09-28	cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree.	2017654.cif
1190	2010-06-06	cif/2/ Adding files from Acta-Cryst-C-2010_05 processing.	2017654.cif