Crystallography Open Database

Information card for entry 1571509

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Coordinates	1571509.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C53 H89 B3 Mg N3 O6
Calculated formula	C53 H89 B3 Mg N3 O6
Title of publication	The borylamino-diborata-allyl anion.
Authors of publication	Shere, Henry T. W.; Liu, Han-Ying; Neale, Samuel E.; Hill, Michael S.; Mahon, Mary F.; McMullin, Claire L.
Journal of publication	Chemical science
Year of publication	2024
Journal volume	15
Journal issue	21
Pages of publication	7999 - 8007
a	11.6016 ± 0.0004 Å
b	11.9817 ± 0.0004 Å
c	21.7312 ± 0.0006 Å
α	93.165 ± 0.003°
β	90.606 ± 0.002°
γ	114.468 ± 0.003°
Cell volume	2743.44 ± 0.17 Å³
Cell temperature	149.9 ± 0.6 K
Ambient diffraction temperature	149.9 ± 0.6 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0791
Residual factor for significantly intense reflections	0.051
Weighted residual factors for significantly intense reflections	0.1142
Weighted residual factors for all reflections included in the refinement	0.1307
Goodness-of-fit parameter for all reflections included in the refinement	1.019
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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