Crystallography Open Database

Information card for entry 4505591

Preview

Coordinates	4505591.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C38 H78 Ce2 O16
Calculated formula	C38 H78 Ce2 O16
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	9.3022 ± 0.0007 Å
b	11.2733 ± 0.0008 Å
c	23.9813 ± 0.0017 Å
α	100.73 ± 0.001°
β	93.913 ± 0.001°
γ	91.412 ± 0.001°
Cell volume	2463.3 ± 0.3 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	0.059
Residual factor for significantly intense reflections	0.0529
Weighted residual factors for significantly intense reflections	0.1391
Weighted residual factors for all reflections included in the refinement	0.1425
Goodness-of-fit parameter for all reflections included in the refinement	1.05
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
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.	4505591.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4505591.cif
51823	2012-04-07	../uploads/cif-deposit/cod/cif Adding structures of 4505591 via cif-deposit CGI script.	4505591.cif