Crystallography Open Database

Information card for entry 1517619

Preview

Coordinates	1517619.cif

Structure parameters

Formula	C24 H32 N8 Ni O6
Calculated formula	C24 H32 N8 Ni O6
SMILES	[Ni]12([n]3ccc(c4cc[n](cc4)[Ni]45([n]6ccc(c7ccncc7)cc6)([NH]=C(C(=N4=O)C#N)OCC)[NH]=C(C(=N5=O)C#N)OCC)cc3)([NH]=C(C(=N2=O)C#N)OCC)[NH]=C(C(=N1=O)C#N)OCC.OCC.OCC.OCC.OCC
Title of publication	Coordination polymers of transition metals derived from the in situ nucleophilic addition of alcohols to dicyanonitrosomethanide [C(CN)2(NO)]-
Authors of publication	Mohd. R. Razali; Aron Urbatsch; Glen B. Deacon; Stuart R. Batten
Journal of publication	Inorganica Chimica Acta
Year of publication	2013
Journal volume	403
Pages of publication	120 - 126
a	16.096 ± 0.003 Å
b	11.352 ± 0.002 Å
c	16.663 ± 0.003 Å
α	90°
β	116.4 ± 0.03°
γ	90°
Cell volume	2727.2 ± 1.1 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0609
Residual factor for significantly intense reflections	0.0543
Weighted residual factors for significantly intense reflections	0.1457
Weighted residual factors for all reflections included in the refinement	0.1508
Goodness-of-fit parameter for all reflections included in the refinement	1.061
Diffraction radiation wavelength	0.71082 Å
Diffraction radiation type	synchrotron
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.	1517619.cif
123580	2014-09-09	cif/ Adding structures of 1517619 via cif-deposit CGI script.	1517619.cif