Crystallography Open Database

Information card for entry 7108815

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Coordinates	7108815.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C37 H59 B2 K N4 P2
Calculated formula	C37 H59 B2 K N4 P2
Title of publication	Formation of a Ph2PCH(BH3)P(BH3)Ph2 ligand via formal 1,2-borane migration
Authors of publication	Jens Langer; Villo K. Palfi; Helmar Gorls; Markus Reiher; Matthias Westerhausen
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2013
Journal volume	49
Journal issue	11
Pages of publication	1121 - 1123
a	10.1261 ± 0.0002 Å
b	11.4604 ± 0.0004 Å
c	18.7902 ± 0.0008 Å
α	87.101 ± 0.002°
β	89.417 ± 0.002°
γ	70.312 ± 0.002°
Cell volume	2050.43 ± 0.12 Å³
Cell temperature	133 ± 2 K
Ambient diffraction temperature	133 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1039
Residual factor for significantly intense reflections	0.0836
Weighted residual factors for significantly intense reflections	0.164
Weighted residual factors for all reflections included in the refinement	0.1762
Goodness-of-fit parameter for all reflections included in the refinement	1.178
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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