Crystallography Open Database

Information card for entry 4108637

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Coordinates	4108637.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C394 H318 B16 Cu8 F64 N82 O20
Calculated formula	C394 H318 B4 Cu8 F16 N82 O20
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	44.45 ± 0.02 Å
b	30.288 ± 0.015 Å
c	31.745 ± 0.016 Å
α	90°
β	124.28 ± 0.006°
γ	90°
Cell volume	35314 ± 3 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	7
Space group number	12
Hermann-Mauguin space group symbol	C 1 2/m 1
Hall space group symbol	-C 2y
Residual factor for all reflections	0.1564
Residual factor for significantly intense reflections	0.1097
Weighted residual factors for significantly intense reflections	0.2931
Weighted residual factors for all reflections included in the refinement	0.3137
Goodness-of-fit parameter for all reflections included in the refinement	0.918
Diffraction radiation wavelength	0.6926 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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