Crystallography Open Database

Information card for entry 4500805

Preview

Coordinates	4500805.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C33 H37 Mg3 N7 O16
Calculated formula	C33 H37 Mg3 N7 O16
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	12.3475 ± 0.0005 Å
b	11.1929 ± 0.0005 Å
c	28.6734 ± 0.0012 Å
α	90°
β	98.816 ± 0.001°
γ	90°
Cell volume	3916 ± 0.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 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	0.0769
Residual factor for significantly intense reflections	0.053
Weighted residual factors for significantly intense reflections	0.1382
Weighted residual factors for all reflections included in the refinement	0.1517
Goodness-of-fit parameter for all reflections included in the refinement	1.037
Diffraction radiation wavelength	0.41328 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
179539 (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 4/50/08.	4500805.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4500805.cif
34640	2012-02-25	../uploads/cif-deposit/cod/cif Adding structures of 4500805 via cif-deposit CGI script.	4500805.cif