Crystallography Open Database

Information card for entry 1513208

Preview

Coordinates	1513208.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C2 H16 N10 Ni O2
Calculated formula	C2 H16 N10 Ni O2
SMILES	[NH2](N)[Ni]12([NH2]N=C(N)O1)([NH2]N=C(N)O2)[NH2]N
Title of publication	Structural investigations on bis-(semicarbazido)dihydrazine nickel(II) complex synthesized by using uracil and hydrazine hydrate
Authors of publication	Vinod P. Singh; Monika Mishra; Karishma Tiwari
Journal of publication	Inorganica Chimica Acta
Year of publication	2013
Journal volume	398
Pages of publication	89 - 97
a	8.0122 ± 0.0012 Å
b	7.3011 ± 0.0009 Å
c	8.5625 ± 0.0012 Å
α	90°
β	110.03 ± 0.015°
γ	90°
Cell volume	470.59 ± 0.12 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0571
Residual factor for significantly intense reflections	0.0521
Weighted residual factors for significantly intense reflections	0.1434
Weighted residual factors for all reflections included in the refinement	0.1491
Goodness-of-fit parameter for all reflections included in the refinement	1.147
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
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.	1513208.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1513208.cif
91897	2013-12-18	cif/ Adding structures of 1513208 via cif-deposit CGI script.	1513208.cif