Crystallography Open Database

Information card for entry 8106987

Preview

Coordinates	8106987.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H22 N9 Nd O17
Calculated formula	C24 H22 N9 Nd O17
SMILES	[Nd]12345(ON(=[O]2)=O)([O]=N(=O)O1)(ON(=[O]4)=O)(ON(=O)=[O]5)([O]=N(=O)O3)[OH2].n1cccc2ccc3ccc[nH+]c3c12.n1cccc2ccc3ccc[nH+]c3c12.O
Title of publication	Crystal structures of bis(1,10-phenanthrolin-1-ium) aquapentakis(nitrato-κ2 O,O′)neodym(III) monohydrate, C24H22N9NdO17
Authors of publication	Bi-Song, Zhang; Ling-Xia, Hu; Chang-Sheng, Wu; Zhen-Xiang, Liu
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2016
Journal volume	231
Journal issue	3
Pages of publication	721 - 723
a	7.6445 ± 0.0015 Å
b	7.9378 ± 0.0016 Å
c	25.741 ± 0.005 Å
α	94.51 ± 0.03°
β	91.76 ± 0.03°
γ	97.34 ± 0.03°
Cell volume	1543.1 ± 0.5 Å³
Cell temperature	290 ± 2 K
Ambient diffraction temperature	290 ± 2 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	0.0301
Residual factor for significantly intense reflections	0.0274
Weighted residual factors for significantly intense reflections	0.0662
Weighted residual factors for all reflections included in the refinement	0.0686
Goodness-of-fit parameter for all reflections included in the refinement	1.037
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
282049 (current)	2023-03-24	cif/ Adding structures of 8106987 via cif-deposit CGI script.	8106987.cif