Crystallography Open Database

Information card for entry 1517618

Preview

Coordinates	1517618.cif

Structure parameters

Formula	C19.5 H19.5 N8.5 Ni O4.5
Calculated formula	C19.5 H19.5 N8.5 Ni O4.5
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	10.975 ± 0.002 Å
b	11.641 ± 0.002 Å
c	13.659 ± 0.003 Å
α	92.24 ± 0.03°
β	96.77 ± 0.03°
γ	115.1 ± 0.03°
Cell volume	1561.5 ± 0.7 Å³
Cell temperature	123 ± 0.18 K
Ambient diffraction temperature	123 ± 0.18 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	0.0758
Residual factor for significantly intense reflections	0.0613
Weighted residual factors for significantly intense reflections	0.1879
Weighted residual factors for all reflections included in the refinement	0.1979
Goodness-of-fit parameter for all reflections included in the refinement	1.042
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176435 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries from ranges 1, 2.	1517618.cif
123579	2014-09-09	cif/ Adding structures of 1517618 via cif-deposit CGI script.	1517618.cif