Crystallography Open Database

Information card for entry 7215440

Preview

Coordinates	7215440.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C70 H60.5 N14 Ni2 O13.25
Calculated formula	C70 H52 N14 Ni2 O13.25
Title of publication	A new type of entangled motif: from 2D polyrotaxane layers to a 3D polythreaded framework
Authors of publication	Wu, Hua; Liu, Bo; Yang, Jin; Liu, Hai-Yan; Ma, Jian-Fang
Journal of publication	CrystEngComm
Year of publication	2011
Journal volume	13
Journal issue	11
Pages of publication	3661
a	12.4787 ± 0.0004 Å
b	15.7475 ± 0.0006 Å
c	17.5342 ± 0.0009 Å
α	94.783 ± 0.004°
β	91.032 ± 0.004°
γ	101.706 ± 0.003°
Cell volume	3360 ± 0.2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1156
Residual factor for significantly intense reflections	0.0581
Weighted residual factors for significantly intense reflections	0.1364
Weighted residual factors for all reflections included in the refinement	0.151
Goodness-of-fit parameter for all reflections included in the refinement	0.872
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
176453 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7215440.cif
111948	2014-04-28	cif/ Adding structures of 7215440 via cif-deposit CGI script.	7215440.cif