Crystallography Open Database

Information card for entry 4110769

Preview

Coordinates	4110769.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C8 H24.1 N2 Ni2.5 O15.55
Calculated formula	C8 H11 N2 Ni2.5 O14.285
Title of publication	Chiral Three-Dimensional Microporous Nickel Aspartate with Extended Ni-O-Ni Bonding
Authors of publication	Ekaterina V. Anokhina; Yong Bok Go; Yongjae Lee; Thomas Vogt; Allan J. Jacobson
Journal of publication	Journal of the American Chemical Society
Year of publication	2006
Journal volume	128
Pages of publication	9957 - 9962
a	18.186 ± 0.007 Å
b	18.186 ± 0.007 Å
c	11.706 ± 0.006 Å
α	90°
β	90°
γ	90°
Cell volume	3872 ± 3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	92
Hermann-Mauguin space group symbol	P 41 21 2
Hall space group symbol	P 4abw 2nw
Residual factor for all reflections	0.1062
Residual factor for significantly intense reflections	0.084
Weighted residual factors for significantly intense reflections	0.2188
Weighted residual factors for all reflections included in the refinement	0.2413
Goodness-of-fit parameter for all reflections included in the refinement	1.141
Diffraction radiation wavelength	0.9223 Å
Has coordinates	Yes
Has disorder	No
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.	4110769.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4110769.cif
59612	2012-06-13	cif/ Adding structures of 4110769 via cif-deposit CGI script.	4110769.cif