Crystallography Open Database

Information card for entry 1513607

Preview

Coordinates	1513607.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	MesDPBPhHNiSiH2Ph
Formula	C26.5 H26 B0.5 Ni0.5 O0.25 P Si0.5
Calculated formula	C26.5 H26 B0.5 Ni0.5 O0.25 P Si0.5
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	11.6097 ± 0.0008 Å
b	13.0379 ± 0.0009 Å
c	17.3875 ± 0.0012 Å
α	68.361 ± 0.004°
β	72.03 ± 0.004°
γ	64.875 ± 0.004°
Cell volume	2178.5 ± 0.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0467
Residual factor for significantly intense reflections	0.0358
Weighted residual factors for significantly intense reflections	0.0831
Weighted residual factors for all reflections included in the refinement	0.0904
Goodness-of-fit parameter for all reflections included in the refinement	1.036
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.	1513607.cif
105085	2014-03-11	cif/ Adding structures of 1513607, 1513608, 1513609 via cif-deposit CGI script.	1513607.cif