Crystallography Open Database

Information card for entry 7059818

Preview

Coordinates	7059818.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C33 H120 Cl3 Cu8 Er N16 O43
Calculated formula	C33 H120 Cl3 Cu8 Er N16 O43
Title of publication	3d‒4f Metallacrown complexes with a new sandwich core: synthesis, structures and single molecule magnet behavior
Authors of publication	Chang, Wen-Wen; Yang, Hua; Tian, Hai-Quan; Li, Da-Cheng; Dou, Jian-Min
Journal of publication	New Journal of Chemistry
Year of publication	2020
Journal volume	44
Journal issue	33
Pages of publication	14145 - 14150
a	11.3758 ± 0.0008 Å
b	20.6667 ± 0.0011 Å
c	18.5033 ± 0.001 Å
α	90°
β	95.408 ± 0.006°
γ	90°
Cell volume	4330.8 ± 0.5 Å³
Cell temperature	132 ± 4 K
Ambient diffraction temperature	132 ± 4 K
Number of distinct elements	7
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.1326
Residual factor for significantly intense reflections	0.1126
Weighted residual factors for significantly intense reflections	0.3232
Weighted residual factors for all reflections included in the refinement	0.3464
Goodness-of-fit parameter for all reflections included in the refinement	1.28
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
257703 (current)	2020-10-06	cif/ Updating files of 7059818, 7059819 Original log message: Adding full bibliography for 7059818--7059819.cif.	7059818.cif
256136	2020-09-06	cif/ Updating files of 7059818, 7059819 Original log message: Adding full bibliography for 7059818--7059819.cif.	7059818.cif
254592	2020-07-27	cif/ Adding structures of 7059818, 7059819 via cif-deposit CGI script.	7059818.cif