Crystallography Open Database

Information card for entry 4500808

Preview

Coordinates	4500808.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H44 Mg4 N8 O26.5
Calculated formula	C40 H44 Mg4 N8 O26.504
Title of publication	Synthesis and Structural Characterization of Magnesium Based Coordination Networks in Different Solvents
Authors of publication	Banerjee, Debasis; Finkelstein, Jeffrey; Smirnov, A.; Forster, Paul M.; Borkowski, Lauren A.; Teat, Simon J.; Parise, John B.
Journal of publication	Crystal Growth & Design
Year of publication	2011
Journal volume	11
Journal issue	6
Pages of publication	2572
a	13.7442 ± 0.0014 Å
b	14.2887 ± 0.0015 Å
c	14.1178 ± 0.0014 Å
α	90°
β	104.912 ± 0.002°
γ	90°
Cell volume	2679.2 ± 0.5 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0766
Residual factor for significantly intense reflections	0.0477
Weighted residual factors for significantly intense reflections	0.1246
Weighted residual factors for all reflections included in the refinement	0.1396
Goodness-of-fit parameter for all reflections included in the refinement	1.013
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
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4500808.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4500808.cif
34643	2012-02-25	../uploads/cif-deposit/cod/cif Adding structures of 4500808 via cif-deposit CGI script.	4500808.cif