Crystallography Open Database

Information card for entry 7702864

Preview

Coordinates	7702864.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40.5 H51.5 Gd N10.5 O11 Zn
Calculated formula	C40.5 H45 Gd N10.5 O11 Zn
Title of publication	Structural characterisation, EPR and magnetic properties of f‒f and f‒d lanthanide(iii) phenolic cryptates
Authors of publication	Avecilla, Fernando; Platas-Iglesias, Carlos; Rodríguez-Cortiñas, Raquel; Guillemot, Geoffroy; Bünzli, Jean-Claude G.; Brondino, Carlos D.; Geraldes, Carlos F. G. C.; Blas, Andrés de; Rodríguez-Blas, Teresa
Journal of publication	Journal of the Chemical Society, Dalton Transactions
Year of publication	2002
Journal issue	24
Pages of publication	4658
a	10.7705 ± 0.0014 Å
b	12.659 ± 0.0016 Å
c	17.494 ± 0.002 Å
α	81.937 ± 0.003°
β	87.968 ± 0.003°
γ	81.534 ± 0.002°
Cell volume	2335.6 ± 0.5 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.2044
Residual factor for significantly intense reflections	0.0788
Weighted residual factors for significantly intense reflections	0.1365
Weighted residual factors for all reflections included in the refinement	0.1777
Goodness-of-fit parameter for all reflections included in the refinement	0.945
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
244052 (current)	2019-11-28	cif/ Adding structures of 7702860, 7702861, 7702862, 7702863, 7702864 via cif-deposit CGI script.	7702864.cif