Crystallography Open Database

Information card for entry 4501767

Preview

Coordinates	4501767.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C10 H10 Li2 N2 O5
Calculated formula	C10 H10 Li2 N2 O5
Title of publication	Synthesis and Structural Characterization of a 3-D Lithium Based Metal−Organic Framework Showing Dynamic Structural Behavior
Authors of publication	Banerjee, Debasis; Kim, Sun Jin; Li, Wei; Wu, Haohan; Li, Jing; Borkowski, Lauren A.; Philips, Brian L.; Parise, John B.
Journal of publication	Crystal Growth & Design
Year of publication	2010
Journal volume	10
Journal issue	6
Pages of publication	2801
a	15.8 ± 0.003 Å
b	8.5958 ± 0.0017 Å
c	18.46 ± 0.004 Å
α	90°
β	90°
γ	90°
Cell volume	2507.1 ± 0.9 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	5
Space group number	60
Hermann-Mauguin space group symbol	P b c n
Hall space group symbol	-P 2n 2ab
Residual factor for all reflections	0.0579
Residual factor for significantly intense reflections	0.0475
Weighted residual factors for significantly intense reflections	0.1403
Weighted residual factors for all reflections included in the refinement	0.1499
Goodness-of-fit parameter for all reflections included in the refinement	1.058
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
179548 (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 4/50/17.	4501767.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4501767.cif
36097	2012-03-01	../uploads/cif-deposit/cod/cif Adding structures of 4501767 via cif-deposit CGI script.	4501767.cif