Crystallography Open Database

Information card for entry 4305560

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Coordinates	4305560.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C89 H128 B3 N3 O14
Calculated formula	C89 H120 B3 N3 O14
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	14.6309 ± 0.0009 Å
b	17.705 ± 0.001 Å
c	18.1066 ± 0.0009 Å
α	112.696 ± 0.005°
β	91.91 ± 0.005°
γ	92.831 ± 0.005°
Cell volume	4314.9 ± 0.4 Å³
Cell temperature	130 ± 1 K
Ambient diffraction temperature	130 ± 1 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1677
Residual factor for significantly intense reflections	0.1462
Weighted residual factors for significantly intense reflections	0.4647
Weighted residual factors for all reflections included in the refinement	0.4777
Goodness-of-fit parameter for all reflections included in the refinement	1.983
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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