Crystallography Open Database

Information card for entry 4068243

Preview

Coordinates	4068243.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C35 H54 N2 Ni O Si2
Calculated formula	C35 H54 N2 Ni O Si2
SMILES	[Ni]123([CH2]=[CH]1[Si](O[Si]([CH]3=[CH2]2)(C)C)(C)C)=C1N(C=CN1c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C
Title of publication	Stoichiometric and Catalytic Reactions of Thermally Stable Nickel(0) NHC Complexes
Authors of publication	Wu, Jianguo; Faller, John W.; Hazari, Nilay; Schmeier, Timothy J.
Journal of publication	Organometallics
Year of publication	2012
Journal volume	31
Journal issue	3
Pages of publication	806
a	11.7681 ± 0.0018 Å
b	12.222 ± 0.0019 Å
c	12.814 ± 0.002 Å
α	91.175 ± 0.004°
β	91.489 ± 0.004°
γ	93.016 ± 0.004°
Cell volume	1839.4 ± 0.5 Å³
Cell temperature	223 K
Ambient diffraction temperature	223 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for significantly intense reflections	0.0494
Weighted residual factors for all reflections included in the refinement	0.1031
Goodness-of-fit parameter for all reflections included in the refinement	1.019
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4068243.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4068243.cif
38140	2012-03-04	../uploads/cif-deposit/cod/cif Adding structures of 4068240, 4068241, 4068242, 4068243 via cif-deposit CGI script.	4068243.cif