Crystallography Open Database

Information card for entry 4344031

Preview

Coordinates	4344031.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C87 H118 N6 O24 Tm4
Calculated formula	C87 H108 N6 O24 Tm4
Title of publication	Tetranuclear and Pentanuclear Compounds of the Rare-Earth Metals: Synthesis and Magnetism.
Authors of publication	Yadav, Munendra; Mondal, Abhishake; Mereacre, Valeriu; Jana, Salil Kumar; Powell, Annie K.; Roesky, Peter W.
Journal of publication	Inorganic chemistry
Year of publication	2015
Journal volume	54
Journal issue	16
Pages of publication	7846 - 7856
a	13.9186 ± 0.0005 Å
b	17.6449 ± 0.0005 Å
c	21.6536 ± 0.0008 Å
α	68.463 ± 0.002°
β	85.537 ± 0.003°
γ	72.381 ± 0.002°
Cell volume	4711.3 ± 0.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 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	0.0448
Residual factor for significantly intense reflections	0.035
Weighted residual factors for significantly intense reflections	0.0866
Weighted residual factors for all reflections included in the refinement	0.0903
Goodness-of-fit parameter for all reflections included in the refinement	1.022
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
160495 (current)	2015-10-06	cif/ Updating files of 4344028, 4344029, 4344030, 4344031 Original log message: Adding full bibliography for 4344028--4344031.cif.	4344031.cif
152590	2015-07-29	cif/ Adding structures of 4344031 via cif-deposit CGI script.	4344031.cif