Crystallography Open Database

Information card for entry 4305559

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Coordinates	4305559.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C86 H96 B3 N13 O12
Calculated formula	C86 H87 B3 N13 O12
Title of publication	Trianionic Organoborate Triangles
Authors of publication	Brendan F. Abrahams; Berin A. Boughton; Haozhen Choy; Oliver Clarke; Martin J. Grannas; David J. Price; Richard Robson
Journal of publication	Inorganic Chemistry
Year of publication	2008
Journal volume	47
Pages of publication	9797 - 9803
a	18.122 ± 0.013 Å
b	29.69 ± 0.02 Å
c	15.313 ± 0.011 Å
α	90°
β	94.103 ± 0.013°
γ	90°
Cell volume	8218 ± 10 Å³
Cell temperature	130 ± 1 K
Ambient diffraction temperature	130 ± 2 K
Number of distinct elements	5
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	0.3053
Residual factor for significantly intense reflections	0.0944
Weighted residual factors for significantly intense reflections	0.2106
Weighted residual factors for all reflections included in the refinement	0.2637
Goodness-of-fit parameter for all reflections included in the refinement	0.899
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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