Crystallography Open Database

Information card for entry 4505594

Preview

Coordinates	4505594.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C48 H95 Ce3 O22
Calculated formula	C48 H95 Ce3 O22
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	24.6004 ± 0.0013 Å
b	12.4601 ± 0.0007 Å
c	21.0665 ± 0.0012 Å
α	90°
β	90°
γ	90°
Cell volume	6457.4 ± 0.6 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	153 ± 2 K
Number of distinct elements	4
Space group number	33
Hermann-Mauguin space group symbol	P n a 21
Hall space group symbol	P 2c -2n
Residual factor for all reflections	0.0304
Residual factor for significantly intense reflections	0.0244
Weighted residual factors for significantly intense reflections	0.057
Weighted residual factors for all reflections included in the refinement	0.0604
Goodness-of-fit parameter for all reflections included in the refinement	1.031
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.	4505594.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4505594.cif
51826	2012-04-07	../uploads/cif-deposit/cod/cif Adding structures of 4505594 via cif-deposit CGI script.	4505594.cif