Crystallography Open Database

Information card for entry 7707966

Preview

Coordinates	7707966.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C116 H106 Gd4 N6 O26
Calculated formula	C114 H98 Gd4 N6 O24
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	14.0128 ± 0.0006 Å
b	17.0735 ± 0.0007 Å
c	23.9952 ± 0.001 Å
α	89.078 ± 0.002°
β	89.403 ± 0.002°
γ	68.066 ± 0.0018°
Cell volume	5324.5 ± 0.4 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150.01 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	0.0648
Residual factor for significantly intense reflections	0.0398
Weighted residual factors for significantly intense reflections	0.088
Weighted residual factors for all reflections included in the refinement	0.0984
Goodness-of-fit parameter for all reflections included in the refinement	1.028
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.	7707966.cif
267980	2021-08-07	cif/ Adding structures of 7707966, 7707967, 7707968, 7707969, 7707970 via cif-deposit CGI script.	7707966.cif