Crystallography Open Database

Information card for entry 4512532

Preview

Coordinates	4512532.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H16 Co2 N2 O10
Calculated formula	C26 H16 Co2 N2 O10
Title of publication	Metal‒Organic Frameworks from Divalent Metals and 1,4-Benzenedicarboxylate with Bidentate Pyridine-N-oxide Co-ligands
Authors of publication	Munn, Alexis S.; Amabilino, Silvia; Stevens, Thomas W.; Daniels, Luke M.; Clarkson, Guy J.; Millange, Franck; Lennox, Matthew J.; Düren, Tina; Bourelly, Sandrine; Llewellyn, Philip L.; Walton, Richard I.
Journal of publication	Crystal Growth & Design
Year of publication	2015
Journal volume	15
Journal issue	2
Pages of publication	891
a	11.3517 ± 0.0012 Å
b	11.3956 ± 0.001 Å
c	13.2806 ± 0.0012 Å
α	90°
β	110.274 ± 0.011°
γ	90°
Cell volume	1611.5 ± 0.3 Å³
Cell temperature	296.15 K
Ambient diffraction temperature	296.15 K
Number of distinct elements	5
Space group number	13
Hermann-Mauguin space group symbol	P 1 2/c 1
Hall space group symbol	-P 2yc
Residual factor for all reflections	0.1554
Residual factor for significantly intense reflections	0.0738
Weighted residual factors for significantly intense reflections	0.1089
Weighted residual factors for all reflections included in the refinement	0.1261
Goodness-of-fit parameter for all reflections included in the refinement	0.962
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179672 (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 4/51/25.	4512532.cif
138036	2015-06-05	cif/ Updating files of 4512530, 4512531, 4512532 Original log message: Adding full bibliography for 4512530--4512532.cif.	4512532.cif
129718	2015-01-17	cif/ Adding structures of 4512532 via cif-deposit CGI script.	4512532.cif