Crystallography Open Database

Information card for entry 1576268

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Coordinates	1576268.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H36 Al B F36 O4 P2
Calculated formula	C32 H36 Al B F36 O4 P2
Title of publication	A crystalline phosphorus-substituted borinium ion: double dihydrogen activation by an ambiphilic inorganic allene
Authors of publication	Ordyszewska-Lach, Anna; Cieplińska, Kinga; Anusiewicz, Iwona; Chojnacki, Jarosław; Kaniewska-Laskowska, Kinga; Grubba, Rafał
Journal of publication	Chemical Science
Year of publication	2025
a	11.6622 ± 0.0002 Å
b	20.3909 ± 0.0004 Å
c	21.3006 ± 0.0003 Å
α	90°
β	103.726 ± 0.001°
γ	90°
Cell volume	4920.68 ± 0.15 Å³
Cell temperature	120 K
Ambient diffraction temperature	120 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0893
Residual factor for significantly intense reflections	0.0581
Weighted residual factors for significantly intense reflections	0.1502
Weighted residual factors for all reflections included in the refinement	0.1735
Goodness-of-fit parameter for all reflections included in the refinement	1.029
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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