Crystallography Open Database

Information card for entry 4113749

Preview

Coordinates	4113749.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C54 H67 N5 Ni O12
Calculated formula	C54 H45 N5 Ni O12
Title of publication	Interlocked Chiral Nanotubes Assembled from Quintuple Helices
Authors of publication	Yong Cui; Suk Joong Lee; Wenbin Lin
Journal of publication	Journal of the American Chemical Society
Year of publication	2003
Journal volume	125
Pages of publication	6014 - 6015
a	38.098 ± 0.005 Å
b	38.098 ± 0.005 Å
c	9.47 ± 0.0019 Å
α	90°
β	90°
γ	90°
Cell volume	13745 ± 4 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	0.1736
Residual factor for significantly intense reflections	0.1077
Weighted residual factors for significantly intense reflections	0.2691
Weighted residual factors for all reflections included in the refinement	0.3109
Goodness-of-fit parameter for all reflections included in the refinement	1.045
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
178908 (current)	2016-03-22	cif/4/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/11/37.	4113749.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4113749.cif
67021	2012-09-18	cif/ Adding structures of 4113749 via cif-deposit CGI script.	4113749.cif