Crystallography Open Database

Information card for entry 7712367

Preview

Coordinates	7712367.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H52 B3 P3
Calculated formula	C28 H52 B3 P3
SMILES	[P]1(C(C)(C)C)(C(C)(C)C)[BH]([P](C(C)(C)C)(C(C)(C)C)[BH3])[P](c2ccccc2)(c2ccccc2)[BH2]1
Title of publication	Reactivity of triphosphinoboranes towards H3B∙SMe2: Access to derivatives of boraphosphacycloalkanes with diversified substituents
Authors of publication	Ordyszewska, Anna; Chojnacki, Jarosław; Grubba, Rafał
Journal of publication	Dalton Transactions
Year of publication	2023
a	12.99 ± 0.005 Å
b	18.828 ± 0.006 Å
c	12.969 ± 0.005 Å
α	90°
β	100.24 ± 0.03°
γ	90°
Cell volume	3121 ± 2 Å³
Cell temperature	120 K
Ambient diffraction temperature	120 K
Number of distinct elements	4
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	0.0718
Residual factor for significantly intense reflections	0.0626
Weighted residual factors for significantly intense reflections	0.1792
Weighted residual factors for all reflections included in the refinement	0.1903
Goodness-of-fit parameter for all reflections included in the refinement	1.122
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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