Crystallography Open Database

Information card for entry 4500908

Preview

Coordinates	4500908.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C9 H3 N O9 Sr2
Calculated formula	C9 H3 N O9 Sr2
Title of publication	Sr2[C6H3(CO2)3(NO3)]·DMF: One-Dimensional Nano-Channel in a New Non-Centrosymmetric Strontium‒Organic Framework with High Thermal Stability
Authors of publication	Lee, Dong Woo; Jo, Vinna; Ok, Kang Min
Journal of publication	Crystal Growth & Design
Year of publication	2011
Journal volume	11
Journal issue	7
Pages of publication	2698
a	17.3726 ± 0.0007 Å
b	17.3726 ± 0.0007 Å
c	10.0243 ± 0.0008 Å
α	90°
β	90°
γ	120°
Cell volume	2620.1 ± 0.3 Å³
Cell temperature	298 ± 0.2 K
Ambient diffraction temperature	298 ± 0.2 K
Number of distinct elements	5
Space group number	190
Hermann-Mauguin space group symbol	P -6 2 c
Hall space group symbol	P -6c -2c
Residual factor for all reflections	0.0454
Residual factor for significantly intense reflections	0.0419
Weighted residual factors for significantly intense reflections	0.1512
Weighted residual factors for all reflections included in the refinement	0.1523
Goodness-of-fit parameter for all reflections included in the refinement	1.247
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.	4500908.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4500908.cif
34679	2012-02-25	../uploads/cif-deposit/cod/cif Adding structures of 4500908 via cif-deposit CGI script.	4500908.cif