Crystallography Open Database

Information card for entry 4330536

Preview

Coordinates	4330536.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	[Ce7Cl12(nBuOH)16](nBuOH)2(H2O)2
Formula	C72 Ce7 Cl21 O20
Calculated formula	C72 Ce7 Cl21 O20
Title of publication	New Family of Cerium Halide Based Materials: CeX3.ROH Compounds Containing Planes, Chains, and Tetradecanuclear Rings
Authors of publication	Shae Anne Vaughn; Bryan C. Chakoumakos; Radu Custelcean; Joanne O. Ramey; Mark D. Smith; Lynn A. Boatner; Hans-Conrad zur Loye
Journal of publication	Inorganic Chemistry
Year of publication	2012
Journal volume	51
Pages of publication	10503 - 10511
a	14.2678 ± 0.0009 Å
b	21.1043 ± 0.0013 Å
c	22.7005 ± 0.0014 Å
α	68.336 ± 0.001°
β	81.291 ± 0.001°
γ	89.673 ± 0.001°
Cell volume	6269.9 ± 0.7 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0889
Residual factor for significantly intense reflections	0.0543
Weighted residual factors for significantly intense reflections	0.1343
Weighted residual factors for all reflections included in the refinement	0.156
Goodness-of-fit parameter for all reflections included in the refinement	1.035
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
179408 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/05.	4330536.cif
79989	2013-04-06	cif/ Adding structures of 4330536 via cif-deposit CGI script.	4330536.cif