Crystallography Open Database

Information card for entry 4108639

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Coordinates	4108639.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C341 H284 B16 F64 N72 Ni8 O5
Calculated formula	C341 H279 B12 F48 N72 Ni8 O5
Title of publication	Octanuclear Cubic Coordination Cages
Authors of publication	Ian S. Tidmarsh; Thomas B. Faust; Harry Adams; Lindsay P. Harding; Luca Russo; William Clegg; Michael D. Ward
Journal of publication	Journal of the American Chemical Society
Year of publication	2008
Journal volume	130
Pages of publication	15167 - 15175
a	33.0351 ± 0.0015 Å
b	29.5646 ± 0.0014 Å
c	39.8684 ± 0.0018 Å
α	90°
β	97.011 ± 0.002°
γ	90°
Cell volume	38647 ± 3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.1025
Residual factor for significantly intense reflections	0.0853
Weighted residual factors for significantly intense reflections	0.2575
Weighted residual factors for all reflections included in the refinement	0.2716
Goodness-of-fit parameter for all reflections included in the refinement	1.119
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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