Crystallography Open Database

Information card for entry 1516904

Preview

Coordinates	1516904.cif

Structure parameters

Formula	C22 H30 N6 Ni O9
Calculated formula	C22 H30 N6 Ni O9
SMILES	[Ni]12(OC(=O)c3[n]1cc(cc3)C(=O)[O-])(OC(=O)c1[n]2cc(cc1)C(=O)[O-])([NH]1CC[NH2+]CC1)[NH]1CC[NH2+]CC1.O
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	22.317 ± 0.003 Å
b	12.2177 ± 0.0017 Å
c	9.058 ± 0.0012 Å
α	90°
β	108.766 ± 0.002°
γ	90°
Cell volume	2338.5 ± 0.5 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.0328
Residual factor for significantly intense reflections	0.028
Weighted residual factors for significantly intense reflections	0.0758
Weighted residual factors for all reflections included in the refinement	0.0787
Goodness-of-fit parameter for all reflections included in the refinement	1.091
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.	1516904.cif
119620	2014-07-08	cif/ Adding structures of 1516904 via cif-deposit CGI script.	1516904.cif