Crystallography Open Database

Information card for entry 4107728

Preview

Coordinates	4107728.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C48 H128 Cl8 N28 Ni4 O54
Calculated formula	C48 H108 Cl8 N28 Ni4 O54
Title of publication	Ni(II)-Mediated Self-Assembly of Artificial β-Dipeptides Forming a Macrocyclic Tetranuclear Complex with Interior Spaces for In-Line Molecular Arrangement
Authors of publication	Ryosuke Miyake; Shohei Tashiro; Motoo Shiro; Kentaro Tanaka; Mitsuhiko Shionoya
Journal of publication	Journal of the American Chemical Society
Year of publication	2008
Journal volume	130
Pages of publication	5646 - 5647
a	21.57 ± 0.0008 Å
b	22.1013 ± 0.0008 Å
c	10.0759 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	4803.4 ± 0.3 Å³
Cell temperature	93.1 K
Number of distinct elements	6
Space group number	32
Hermann-Mauguin space group symbol	P b a 2
Hall space group symbol	P 2 -2ab
Residual factor for significantly intense reflections	0.0705
Weighted residual factors for all reflections included in the refinement	0.2274
Goodness-of-fit parameter for all reflections included in the refinement	1.092
Diffraction radiation wavelength	0.71075 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.	4107728.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4107728.cif
55877	2012-05-07	cif/ Adding structures of 4107728 via cif-deposit CGI script.	4107728.cif