Crystallography Open Database

Information card for entry 4505592

Preview

Coordinates	4505592.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C42 H63 Ce3 N3 O21
Calculated formula	C42 H63 Ce3 N3 O21
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	20.704 ± 0.005 Å
b	7.933 ± 0.002 Å
c	32.877 ± 0.008 Å
α	90°
β	106.526 ± 0.003°
γ	90°
Cell volume	5177 ± 2 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
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	0.034
Residual factor for significantly intense reflections	0.0258
Weighted residual factors for significantly intense reflections	0.053
Weighted residual factors for all reflections included in the refinement	0.0584
Goodness-of-fit parameter for all reflections included in the refinement	1.067
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.	4505592.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4505592.cif
51824	2012-04-07	../uploads/cif-deposit/cod/cif Adding structures of 4505592 via cif-deposit CGI script.	4505592.cif