Crystallography Open Database

Information card for entry 7048541

Preview

Coordinates	7048541.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C141 H165 Gd12 N15 O75
Calculated formula	C141 H165 Gd12 N15 O75
Title of publication	Aggregation of [Ln] clusters by the dianion of 3-formylsalicylic acid. Synthesis, crystal structures, magnetic and luminescence properties.
Authors of publication	Dinca, Alina S.; Mindru, Alexei; Dragancea, Diana; Tiseanu, Carmen; Shova, Sergiu; Cornia, Samuele; Carrella, Luca M.; Rentschler, Eva; Affronte, Marco; Andruh, Marius
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2019
Journal volume	48
Journal issue	5
Pages of publication	1700 - 1708
a	17.2373 ± 0.0012 Å
b	17.238 ± 0.0011 Å
c	17.9087 ± 0.0009 Å
α	71.244 ± 0.005°
β	84.76 ± 0.005°
γ	87.213 ± 0.005°
Cell volume	5016.6 ± 0.6 Å³
Cell temperature	200 ± 0.1 K
Ambient diffraction temperature	200 ± 0.1 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	0.1185
Residual factor for significantly intense reflections	0.0805
Weighted residual factors for significantly intense reflections	0.1812
Weighted residual factors for all reflections included in the refinement	0.2111
Goodness-of-fit parameter for all reflections included in the refinement	1.04
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
224000 (current)	2019-11-07	cif/ Updating files of 7048539, 7048540, 7048541 Original log message: Adding full bibliography for 7048539--7048541.cif.	7048541.cif
212960	2019-01-11	cif/ Adding structures of 7048539, 7048540, 7048541 via cif-deposit CGI script.	7048541.cif