Crystallography Open Database

Information card for entry 4120105

4120104 << 4120105 >> 4120106

Preview

Coordinates	4120105.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25 H21 Co2 N3 O9
Calculated formula	C25 H21 Co2 N3 O9
Title of publication	Ferroelectric Switchable Behavior through Fast Reversible De/adsorption of Water Spirals in a Chiral 3D Metal-Organic Framework
Authors of publication	Xi-Yan Dong; Bo Li; Bin-Bin Ma; Shi-Jun Li; Ming-Ming Dong; Yan-Yan Zhu; Shuang-Quan Zang; You Song; Hong-Wei Hou; Thomas. C. W. Mak
Journal of publication	Journal of the American Chemical Society
Year of publication	2013
Journal volume	135
Pages of publication	10214 - 10217
a	15.8831 ± 0.0004 Å
b	15.8831 ± 0.0004 Å
c	21.3791 ± 0.0009 Å
α	90°
β	90°
γ	120°
Cell volume	4670.8 ± 0.3 Å³
Cell temperature	323 K
Ambient diffraction temperature	323 K
Number of distinct elements	5
Space group number	169
Hermann-Mauguin space group symbol	P 61
Hall space group symbol	P 61
Residual factor for all reflections	0.035
Residual factor for significantly intense reflections	0.0307
Weighted residual factors for significantly intense reflections	0.068
Weighted residual factors for all reflections included in the refinement	0.0701
Goodness-of-fit parameter for all reflections included in the refinement	1.085
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
178978 (current)	2016-03-22	cif/4/12/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/12/01.	4120105.cif
105671	2014-03-12	cif/ Adding structures of 4120105 via cif-deposit CGI script.	4120105.cif