Crystallography Open Database

Information card for entry 7043010

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Structure parameters

Formula	C41 H43 As B F6 O P3
Calculated formula	C41 H43 As B F6 O P3
SMILES	[As](F)(F)(F)(F)([F-])F.[BH2]1[P](CC(CP(c2ccccc2)c2ccccc2)(C[P+]1(c1ccccc1)c1ccccc1)C)(c1ccccc1)c1ccccc1.O
Title of publication	Synthetic and Structural Studies of Phosphine Coordinated Boronium Salts
Authors of publication	Hill, Anthony; Ward, Jas S.
Journal of publication	Dalton Trans.
Year of publication	2017
a	13.2239 ± 0.0006 Å
b	21.511 ± 0.0009 Å
c	14.3499 ± 0.0004 Å
α	90°
β	100.315 ± 0.002°
γ	90°
Cell volume	4016 ± 0.3 Å³
Cell temperature	200 K
Ambient diffraction temperature	200 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	0.1601
Residual factor for significantly intense reflections	0.072
Weighted residual factors for all reflections	0.1932
Weighted residual factors for significantly intense reflections	0.1597
Weighted residual factors for all reflections included in the refinement	0.1932
Goodness-of-fit parameter for all reflections included in the refinement	0.9314
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
301850 (current)	2025-08-21	Add cross-references to PubChem compounds in COD range 7/04/ Each referenced PubChem compound corresponds to the full crystal structure.	7043010.cif
196778	2017-05-19	cif/ Adding structures of 7043009, 7043010, 7043011, 7043012, 7043013, 7043014, 7043015, 7043016, 7043017, 7043018, 7043019, 7043020, 7043021, 7043022, 7043023, 7043024, 7043025, 7043026, 7043027 via cif-deposit CGI script.	7043010.cif