Crystallography Open Database

Information card for entry 1516905

Preview

Coordinates	1516905.cif

Structure parameters

Formula	C16 H26 N4 Ni O8
Calculated formula	C16 H26 N4 Ni O8
SMILES	[Ni]1234(OC(=O)C[C@@H]([N]54CC[NH2+]CC5)C(=O)O1)OC(=O)C[C@H]([N]13CC[NH2+]CC1)C(=O)O2
Title of publication	Synthesis, structure and surface photo-electric property of Ni(II) complexes
Authors of publication	Jing Jin; Yu Ding; Yuan-Yuan Gong; Sheng-Mei Cong; Yu-Xian Chi; Guang-Ning Zhang; Shu-Yun Niu
Journal of publication	Inorganica Chimica Acta
Year of publication	2013
Journal volume	399
Pages of publication	227 - 235
a	8.884 ± 0.003 Å
b	12.611 ± 0.004 Å
c	15.885 ± 0.006 Å
α	90°
β	90°
γ	90°
Cell volume	1779.7 ± 1.1 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.1043
Residual factor for significantly intense reflections	0.0577
Weighted residual factors for significantly intense reflections	0.1247
Weighted residual factors for all reflections included in the refinement	0.1473
Goodness-of-fit parameter for all reflections included in the refinement	1.044
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.	1516905.cif
119621	2014-07-08	cif/ Adding structures of 1516905 via cif-deposit CGI script.	1516905.cif