Crystallography Open Database

Information card for entry 4511422

Preview

Coordinates	4511422.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C102 H116 Ce4 N22 O39
Calculated formula	C75 H51 Ce4 N13 O30
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	52.533 ± 0.004 Å
b	28.74 ± 0.002 Å
c	16.9133 ± 0.0014 Å
α	90°
β	98.472 ± 0.001°
γ	90°
Cell volume	25257 ± 3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.1155
Residual factor for significantly intense reflections	0.0901
Weighted residual factors for significantly intense reflections	0.2362
Weighted residual factors for all reflections included in the refinement	0.2567
Goodness-of-fit parameter for all reflections included in the refinement	0.893
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.	4511422.cif
119030	2014-07-05	cif/ Updating files of 4511422, 4511423 Original log message: Adding full bibliography for 4511422--4511423.cif.	4511422.cif
118002	2014-06-25	cif/ Adding structures of 4511422 via cif-deposit CGI script.	4511422.cif