Crystallography Open Database

Information card for entry 4106547

Preview

Coordinates	4106547.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C11 H11 N O5 Sr
Calculated formula	C11 H11 N O5 Sr
Title of publication	A Highly Thermally Stable Ferroelectric Metal-Organic Framework and Its Thin Film with Substrate Surface Nature Dependent Morphology
Authors of publication	Chen Pan; Jiangpu Nan; Xueliang Dong; Xiao-Ming Ren; Wanqin Jin
Journal of publication	Journal of the American Chemical Society
Year of publication	2011
Journal volume	133
Pages of publication	12330 - 12333
a	10.6396 ± 0.0003 Å
b	10.6396 ± 0.0003 Å
c	9.8731 ± 0.0003 Å
α	90°
β	90°
γ	120°
Cell volume	967.91 ± 0.05 Å³
Cell temperature	403 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	144
Hermann-Mauguin space group symbol	P 31
Hall space group symbol	P 31
Residual factor for all reflections	0.0231
Residual factor for significantly intense reflections	0.023
Weighted residual factors for significantly intense reflections	0.0636
Weighted residual factors for all reflections included in the refinement	0.0636
Goodness-of-fit parameter for all reflections included in the refinement	1.148
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
178811 (current)	2016-03-21	cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/65.	4106547.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4106547.cif
53349	2012-04-19	cif/ Adding structures of 4106547 via cif-deposit CGI script.	4106547.cif