Crystallography Open Database

Information card for entry 4084362

Preview

Coordinates	4084362.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19 H29 B P2
Calculated formula	C19 H29 B P2
SMILES	P(C[P](c1ccccc1)(c1ccccc1)[BH3])(C(C)C)C(C)C
Title of publication	Insights into the Stability and Structures of Phosphine-Boranes and Their α-Metalated Derivatives
Authors of publication	Izod, Keith; Wills, Corinne; Anderson, Emma; Harrington, Ross W.; Probert, Michael R.
Journal of publication	Organometallics
Year of publication	2014
Journal volume	33
Journal issue	19
Pages of publication	5283
a	9.9903 ± 0.0005 Å
b	9.5798 ± 0.0005 Å
c	10.6039 ± 0.0006 Å
α	90°
β	108.572 ± 0.006°
γ	90°
Cell volume	962 ± 0.09 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 K
Number of distinct elements	4
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0409
Residual factor for significantly intense reflections	0.0357
Weighted residual factors for significantly intense reflections	0.0787
Weighted residual factors for all reflections included in the refinement	0.0832
Goodness-of-fit parameter for all reflections included in the refinement	1.075
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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