Crystallography Open Database

Information card for entry 4511423

Preview

Coordinates	4511423.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C48 H48 Ce2 N10 O17
Calculated formula	C48 H48 Ce2 N10 O17
Title of publication	Assembly of Cerium(III) 2,2′-Bipyridine-5,5′-dicarboxylate-based Metal‒Organic Frameworks by Solvent Tuning
Authors of publication	Ayhan, Ozan; Malaestean, Iurie L.; Ellern, Arkady; van Leusen, Jan; Baca, Svetlana G.; Kögerler, Paul
Journal of publication	Crystal Growth & Design
Year of publication	2014
Journal volume	14
Journal issue	7
Pages of publication	3541
a	27.541 ± 0.006 Å
b	11.126 ± 0.002 Å
c	16.991 ± 0.003 Å
α	90°
β	99.01 ± 0.03°
γ	90°
Cell volume	5142.2 ± 1.8 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	153 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1056
Residual factor for significantly intense reflections	0.0922
Weighted residual factors for significantly intense reflections	0.2025
Weighted residual factors for all reflections included in the refinement	0.2097
Goodness-of-fit parameter for all reflections included in the refinement	1.165
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
179661 (current)	2016-03-24	cif/4/51/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/51/14.	4511423.cif
119030	2014-07-05	cif/ Updating files of 4511422, 4511423 Original log message: Adding full bibliography for 4511422--4511423.cif.	4511423.cif
118003	2014-06-25	cif/ Adding structures of 4511423 via cif-deposit CGI script.	4511423.cif