Crystallography Open Database

Information card for entry 4501548

Preview

Coordinates	4501548.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H17 Co2 N4 O19.26 Sr
Calculated formula	C12 H17 Co2 N4 O19.26 Sr
Title of publication	Family of Isoreticular Chiral Metal−Organic Frameworks Based on Coordination and Hydrogen Bonds in [M[Co(ethylenediamine)(oxalato)2]2]
Authors of publication	Borel, Cédric; Davies, Kate; Handa, Paul; Hedberg, Gustav; Oliver, Clive L.; Bourne, Susan A.; Håkansson, Mikael; Langer, Vratislav; Öhrström, Lars
Journal of publication	Crystal Growth & Design
Year of publication	2010
Journal volume	10
Journal issue	4
Pages of publication	1971
a	9.0325 ± 0.0014 Å
b	15.476 ± 0.002 Å
c	9.1107 ± 0.0015 Å
α	90°
β	92.883 ± 0.003°
γ	90°
Cell volume	1271.9 ± 0.3 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	153 ± 2 K
Number of distinct elements	6
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0673
Residual factor for significantly intense reflections	0.0549
Weighted residual factors for significantly intense reflections	0.1408
Weighted residual factors for all reflections included in the refinement	0.1498
Goodness-of-fit parameter for all reflections included in the refinement	1.017
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
179546 (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 4/50/15.	4501548.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4501548.cif
35967	2012-03-01	../uploads/cif-deposit/cod/cif Adding structures of 4501543, 4501544, 4501545, 4501546, 4501547, 4501548 via cif-deposit CGI script.	4501548.cif