Crystallography Open Database

Information card for entry 1513609

Preview

Coordinates	1513609.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	MesDPBPhNiCHOC6H5
Formula	C55.5 H45 B Ni O P2
Calculated formula	C55.5 H45 B Ni O P2
Title of publication	Facile Si‒H bond activation and hydrosilylation catalysis mediated by a nickel‒borane complex
Authors of publication	MacMillan, Samantha N.; Hill Harman, W.; Peters, Jonas C.
Journal of publication	Chemical Science
Year of publication	2014
Journal volume	5
Journal issue	2
Pages of publication	590
a	12.9166 ± 0.0008 Å
b	15.2418 ± 0.0009 Å
c	22.8933 ± 0.0015 Å
α	90°
β	105.256 ± 0.003°
γ	90°
Cell volume	4348.2 ± 0.5 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
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	0.071
Residual factor for significantly intense reflections	0.0385
Weighted residual factors for significantly intense reflections	0.0935
Weighted residual factors for all reflections included in the refinement	0.1058
Goodness-of-fit parameter for all reflections included in the refinement	1.025
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
176435 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries from ranges 1, 2.	1513609.cif
105085	2014-03-11	cif/ Adding structures of 1513607, 1513608, 1513609 via cif-deposit CGI script.	1513609.cif