Crystallography Open Database

Information card for entry 4078243

Preview

Coordinates	4078243.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H53 Cl Ni P2 Si
Calculated formula	C30 H53 Cl Ni P2 Si
SMILES	[Ni]1([P](C(C)C)(C(C)C)C(C)C)([P](C(C)C)(C(C)C)C(C)C)[Si](Cl)(c2ccccc2)(c2ccccc2)[H]1
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	18.741 ± 0.002 Å
b	11.1949 ± 0.0012 Å
c	32.174 ± 0.003 Å
α	90°
β	101.875 ± 0.001°
γ	90°
Cell volume	6605.8 ± 1.2 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0633
Residual factor for significantly intense reflections	0.0498
Weighted residual factors for significantly intense reflections	0.0998
Weighted residual factors for all reflections included in the refinement	0.108
Goodness-of-fit parameter for all reflections included in the refinement	1.093
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.	4078243.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4078243.cif
59865	2012-06-14	cif/ Adding structures of 4078243, 4078244, 4078245, 4078246, 4078247 via cif-deposit CGI script.	4078243.cif