Crystallography Open Database

Information card for entry 4078244

Preview

Coordinates	4078244.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C42 H64 Ni2 P2 Si2
Calculated formula	C42 H64 Ni2 P2 Si2
SMILES	[P](C(C)C)(C(C)C)(C(C)C)[Ni]123[H][Si]2(c2ccccc2)(c2ccccc2)[Ni]21([H][Si]32(c1ccccc1)c1ccccc1)[P](C(C)C)(C(C)C)C(C)C
Title of publication	Structural Similarities in Dinuclear, Tetranuclear, and Pentanuclear Nickel Silyl and Silylene Complexes Obtained via Si‒H and Si‒C Activation
Authors of publication	Beck, Robert; Johnson, Samuel A.
Journal of publication	Organometallics
Year of publication	2012
Journal volume	31
Journal issue	9
Pages of publication	3599
a	11.713 ± 0.002 Å
b	17.723 ± 0.004 Å
c	10.674 ± 0.002 Å
α	90°
β	108.04 ± 0.03°
γ	90°
Cell volume	2106.9 ± 0.8 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
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	0.033
Residual factor for significantly intense reflections	0.0295
Weighted residual factors for significantly intense reflections	0.0738
Weighted residual factors for all reflections included in the refinement	0.077
Goodness-of-fit parameter for all reflections included in the refinement	1.05
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
178671 (current)	2016-03-21	cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/82.	4078244.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4078244.cif
59865	2012-06-14	cif/ Adding structures of 4078243, 4078244, 4078245, 4078246, 4078247 via cif-deposit CGI script.	4078244.cif