Crystallography Open Database

Information card for entry 7033680

Preview

Coordinates	7033680.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C280 H245.8 Br20 N50 Ni10 O53.9
Calculated formula	C280 H245.8 Br20 N50 Ni10 O53.9
Title of publication	Deliberate boxes and accidental wheels.
Authors of publication	Kaur, Gurpreet; Polson, Matthew I. J.; Hartshorn, Richard M.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2015
Journal volume	44
Journal issue	9
Pages of publication	4200 - 4206
a	16.9013 ± 0.0004 Å
b	25.0753 ± 0.0007 Å
c	26.0861 ± 0.0007 Å
α	65.062 ± 0.003°
β	85.547 ± 0.002°
γ	82.033 ± 0.002°
Cell volume	9925.6 ± 0.5 Å³
Cell temperature	286.13 ± 0.1 K
Ambient diffraction temperature	286.13 ± 0.1 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	0.1149
Residual factor for significantly intense reflections	0.1
Weighted residual factors for significantly intense reflections	0.3087
Weighted residual factors for all reflections included in the refinement	0.3323
Goodness-of-fit parameter for all reflections included in the refinement	1.366
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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