Crystallography Open Database

Information card for entry 1576270

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Coordinates	1576270.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H50 Al B Cl2 F36 N2 O4 P2
Calculated formula	C40 H50 Al B Cl2 F36 N2 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	20.238 ± 0.002 Å
b	20.36 ± 0.002 Å
c	20.16 ± 0.002 Å
α	96.311 ± 0.009°
β	117.899 ± 0.008°
γ	117.537 ± 0.008°
Cell volume	5918.7 ± 1.6 Å³
Cell temperature	120 K
Ambient diffraction temperature	120 K
Number of distinct elements	9
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1625
Residual factor for significantly intense reflections	0.0957
Weighted residual factors for significantly intense reflections	0.2069
Weighted residual factors for all reflections included in the refinement	0.2543
Goodness-of-fit parameter for all reflections included in the refinement	1.047
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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