Crystallography Open Database

Information card for entry 4505593

Preview

Coordinates	4505593.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H54 Ce2 O16
Calculated formula	C24 H48 Ce2 O15
Title of publication	Linear, Zigzag, and Helical Cerium(III) Coordination Polymers
Authors of publication	Malaestean, Iurie L.; Kutluca-Alıcı, Meliha; Ellern, Arkady; van Leusen, Jan; Schilder, Helmut; Speldrich, Manfred; Baca, Svetlana G.; Kögerler, Paul
Journal of publication	Crystal Growth & Design
Year of publication	2012
Journal volume	12
Journal issue	3
Pages of publication	1593
a	14.6915 ± 0.0011 Å
b	18.5748 ± 0.0014 Å
c	15.3352 ± 0.0012 Å
α	90°
β	113.766 ± 0.001°
γ	90°
Cell volume	3830 ± 0.5 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	4
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	0.0688
Residual factor for significantly intense reflections	0.0562
Weighted residual factors for significantly intense reflections	0.141
Weighted residual factors for all reflections included in the refinement	0.1499
Goodness-of-fit parameter for all reflections included in the refinement	0.938
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
179590 (current)	2016-03-24	cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/55.	4505593.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4505593.cif
51825	2012-04-07	../uploads/cif-deposit/cod/cif Adding structures of 4505593 via cif-deposit CGI script.	4505593.cif