Crystallography Open Database

Information card for entry 1543945

Preview

Coordinates	1543945.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H26 N4 Ni O5
Calculated formula	C32 H26 N4 Ni O5
SMILES	[Ni]12([O]=C(O1)Cc1c[nH]c3ccccc13)(OC(=O)Cc1c[nH]c3ccccc13)([OH2])[n]1cccc3ccc4ccc[n]2c4c13
Title of publication	Synthesis and characterization of novel transition metal complexes with indole acetic acid ligands: Evaluation of their catalytic activity for the oxidation of cyclohexane
Authors of publication	Na Xing; Li Ting Xu; Feng Ying Bai; Hui Shan; Yong Heng Xing; Zhan Shi
Journal of publication	Inorganica Chimica Acta
Year of publication	2014
Pages of publication	360 - 366
a	13.097 ± 0.003 Å
b	12.836 ± 0.003 Å
c	16.875 ± 0.003 Å
α	90°
β	103.91 ± 0.03°
γ	90°
Cell volume	2753.7 ± 1.1 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	0.0697
Residual factor for significantly intense reflections	0.0466
Weighted residual factors for significantly intense reflections	0.0927
Weighted residual factors for all reflections included in the refinement	0.1002
Goodness-of-fit parameter for all reflections included in the refinement	1.057
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
211137 (current)	2018-09-24	cif/ Removing DOI prefixes from 127 CIF files using cif_fix_values r6433.	1543945.cif
185926	2016-08-22	cif/ Adding structures of 1543945 via cif-deposit CGI script.	1543945.cif