Crystallography Open Database

Information card for entry 7025280

Preview

Coordinates	7025280.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C60 H42 B2 F8 N12 Ni
Calculated formula	C60 H42 B2 F8 N12 Ni
Title of publication	Hierarchical self-assembly of heteronuclear co-ordination networks.
Authors of publication	Fenton, Hazel; Tidmarsh, Ian S.; Ward, Michael D.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2010
Journal volume	39
Journal issue	16
Pages of publication	3805 - 3815
a	12.0001 ± 0.0003 Å
b	13.0392 ± 0.0003 Å
c	19.277 ± 0.0005 Å
α	87.178 ± 0.001°
β	87.2 ± 0.001°
γ	64.868 ± 0.001°
Cell volume	2726.14 ± 0.12 Å³
Cell temperature	135 ± 2 K
Ambient diffraction temperature	135 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.082
Residual factor for significantly intense reflections	0.0693
Weighted residual factors for significantly intense reflections	0.2056
Weighted residual factors for all reflections included in the refinement	0.2208
Goodness-of-fit parameter for all reflections included in the refinement	1.042
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7025280.html