Crystallography Open Database

Information card for entry 1548644

Preview

Coordinates	1548644.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C138 H255 Cl N28 Ni6 O59
Calculated formula	C138 H182.4 Cl N28 Ni6 O26.96
Title of publication	Constructions of two polycatenanes and one polypseudo-rotaxane by discrete tetrahedral cages and stool-like building units
Authors of publication	Long Jiang; Ping Ju; Xian-Rui Meng; Xiao-Jun Kuang; Tong-Bu Lu
Journal of publication	Scientific Reports
Year of publication	2012
Journal volume	2
Pages of publication	668
a	32.8793 ± 0.0002 Å
b	32.8793 ± 0.0002 Å
c	32.8793 ± 0.0002 Å
α	90°
β	90°
γ	90°
Cell volume	35544.1 ± 0.4 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
Space group number	227
Hermann-Mauguin space group symbol	F d -3 m :2
Hall space group symbol	-F 4vw 2vw 3
Residual factor for all reflections	0.3382
Residual factor for significantly intense reflections	0.2969
Weighted residual factors for significantly intense reflections	0.509
Weighted residual factors for all reflections included in the refinement	0.5163
Goodness-of-fit parameter for all reflections included in the refinement	0.985
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/1548644.html