Crystallography Open Database

Information card for entry 7707969

Preview

Coordinates	7707969.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C112 H134 Gd8 N30 O52
Calculated formula	C110 H126 Gd8 N30 O50
Title of publication	Molecular assemblies from linear-shaped Ln<sub>4</sub> clusters to Ln<sub>8</sub> clusters using different β-diketonates: disparate magnetocaloric effects and single-molecule magnet behaviours.
Authors of publication	Wang, Wen-Min; Wu, Zhi-Lei; Cui, Jian-Zhong
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2021
Journal volume	50
Journal issue	37
Pages of publication	12931 - 12943
a	14.5068 ± 0.0008 Å
b	17.017 ± 0.0011 Å
c	44.979 ± 0.003 Å
α	90°
β	94.068 ± 0.002°
γ	90°
Cell volume	11075.6 ± 1.2 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150.01 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	0.0939
Residual factor for significantly intense reflections	0.0528
Weighted residual factors for significantly intense reflections	0.1436
Weighted residual factors for all reflections included in the refinement	0.1607
Goodness-of-fit parameter for all reflections included in the refinement	1.056
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
269713 (current)	2021-10-06	cif/ Updating files of 7707966, 7707967, 7707968, 7707969, 7707970 Original log message: Adding full bibliography for 7707966--7707970.cif.	7707969.cif
267980	2021-08-07	cif/ Adding structures of 7707966, 7707967, 7707968, 7707969, 7707970 via cif-deposit CGI script.	7707969.cif