Crystallography Open Database

Information card for entry 8106086

Preview

Coordinates	8106086.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H36 N9 O15 Pr
Calculated formula	C24 H36 N9 O15 Pr
Title of publication	Crystal structure and optical properties of diaqua-tris(nitrato-κ2 O,O′)-bis(4,4,5,5-tetramethyl-2-(p-pyridyl)imidazoline-1-oxyl 3-oxide-κN)praseodymium(III), C24H36N9O15Pr
Authors of publication	Li, Dongjiao; Zhao, Zhiyuan; Yao, Xiuxiu; Chen, Zhen; Wu, Xiaoqiang; Zheng, Xiuwen
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2018
Journal volume	233
Journal issue	2
Pages of publication	163 - 164
a	23.686 ± 0.009 Å
b	11.727 ± 0.005 Å
c	12.001 ± 0.005 Å
α	90°
β	94.852 ± 0.004°
γ	90°
Cell volume	3322 ± 2 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	0.0298
Residual factor for significantly intense reflections	0.0282
Weighted residual factors for significantly intense reflections	0.076
Weighted residual factors for all reflections included in the refinement	0.0769
Goodness-of-fit parameter for all reflections included in the refinement	1.071
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
279280 (current)	2022-11-15	cif/ Adding structures of 8106086 via cif-deposit CGI script.	8106086.cif