Crystallography Open Database

Information card for entry 4077000

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Coordinates	4077000.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C138 H86 Co16 O56
Calculated formula	C138 H86 Co16 O56
Title of publication	An Organometallic Octopus Complex: Structure and Properties of a Resorcinarene with 16 Cobalt Centers
Authors of publication	Eisler, Dana; Hong, Wei; Jennings, Michael C.; Puddephatt, Richard J.
Journal of publication	Organometallics
Year of publication	2002
Journal volume	21
Journal issue	19
Pages of publication	3955
a	15.0144 ± 0.0003 Å
b	19.7712 ± 0.0003 Å
c	25.3065 ± 0.0004 Å
α	97.749 ± 0.001°
β	94.938 ± 0.001°
γ	96.814 ± 0.001°
Cell volume	7351.2 ± 0.2 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1089
Residual factor for significantly intense reflections	0.0742
Weighted residual factors for significantly intense reflections	0.1819
Weighted residual factors for all reflections included in the refinement	0.2068
Goodness-of-fit parameter for all reflections included in the refinement	1.019
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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