Crystallography Open Database

Information card for entry 7038161

Preview

Coordinates	7038161.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	[Er(4-PNO)(BZA)3(H2O)], 12nov24h
Formula	C27 H24 Er N O8
Calculated formula	C27 H24 Er N O8
Title of publication	Lanthanide dinuclear complexes constructed from mixed oxygen-donor ligands: the effect of substituent positions of the neutral ligand on the magnetic dynamics in Dy analogues.
Authors of publication	Zhu, Wen-Hua; Li, Shan; Gao, Chen; Xiong, Xia; Zhang, Yan; Liu, Li; Powell, Annie K.; Gao, Song
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2016
Journal volume	45
Journal issue	11
Pages of publication	4614 - 4621
a	8.247 ± 0.0007 Å
b	19.1819 ± 0.0017 Å
c	16.5347 ± 0.0015 Å
α	90°
β	95.796 ± 0.002°
γ	90°
Cell volume	2602.3 ± 0.4 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296.15 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	0.042
Residual factor for significantly intense reflections	0.0261
Weighted residual factors for significantly intense reflections	0.0613
Weighted residual factors for all reflections included in the refinement	0.0692
Goodness-of-fit parameter for all reflections included in the refinement	1.006
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
181697 (current)	2016-04-05	cif/ Updating files of 7038154, 7038155, 7038156, 7038157, 7038158, 7038159, 7038160, 7038161, 7038162 Original log message: Adding full bibliography for 7038154--7038162.cif.	7038161.cif
175209	2016-01-28	cif/ Adding structures of 7038154, 7038155, 7038156, 7038157, 7038158, 7038159, 7038160, 7038161, 7038162 via cif-deposit CGI script.	7038161.cif