Crystallography Open Database

Information card for entry 4068917

Preview

Coordinates	4068917.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C56 H86 Br2 N2 Ni2 P2
Calculated formula	C56 H86 Br2 N2 Ni2 P2
Title of publication	Catalytic Hydrosilylation of the Carbonyl Functionality via a Transient Nickel Hydride Complex
Authors of publication	Tran, Ba L.; Pink, Maren; Mindiola, Daniel J.
Journal of publication	Organometallics
Year of publication	2009
Journal volume	28
Journal issue	7
Pages of publication	2234
a	11.0634 ± 0.0004 Å
b	14.6234 ± 0.0005 Å
c	18.2598 ± 0.0007 Å
α	90°
β	94.156 ± 0.001°
γ	90°
Cell volume	2946.38 ± 0.19 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.056
Residual factor for significantly intense reflections	0.0356
Weighted residual factors for significantly intense reflections	0.0856
Weighted residual factors for all reflections included in the refinement	0.0972
Goodness-of-fit parameter for all reflections included in the refinement	1.048
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
178579 (current)	2016-03-21	cif/4/06/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/06/89.	4068917.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4068917.cif
40040	2012-03-07	../uploads/cif-deposit/cod/cif Adding structures of 4068917 via cif-deposit CGI script.	4068917.cif