Crystallography Open Database

Information card for entry 4121297

Preview

Coordinates	4121297.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C38 H80 N4 Ni Si4
Calculated formula	C38 H80 N4 Ni Si4
SMILES	[Ni]1([Si@@H]([Si](C(C)(C)C)(C(C)(C)C)C(C)(C)C)[Si@@H]1[Si](C(C)(C)C)(C(C)(C)C)C(C)(C)C)(=C1N(C)C(C)=C(N1C)C)=C1N(C(=C(N1C)C)C)C.[Ni]1([Si@H]([Si](C(C)(C)C)(C(C)(C)C)C(C)(C)C)[Si@H]1[Si](C(C)(C)C)(C(C)(C)C)C(C)(C)C)(=C1N(C)C(C)=C(N1C)C)=C1N(C(=C(N1C)C)C)C
Title of publication	A Dihydrodisilene Transition Metal Complex from an N-Heterocyclic Carbene-Stabilized Silylene Monohydride
Authors of publication	Shigeyoshi Inoue; Carsten Eisenhut
Journal of publication	Journal of the American Chemical Society
Year of publication	2013
Journal volume	135
Pages of publication	18315 - 18318
a	12.5259 ± 0.0003 Å
b	23.4672 ± 0.0007 Å
c	31.3977 ± 0.0009 Å
α	90°
β	90°
γ	90°
Cell volume	9229.3 ± 0.4 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0396
Residual factor for significantly intense reflections	0.032
Weighted residual factors for significantly intense reflections	0.0797
Weighted residual factors for all reflections included in the refinement	0.0849
Goodness-of-fit parameter for all reflections included in the refinement	1.021
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179014 (current)	2016-03-22	cif/4/12/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/12/12.	4121297.cif
107493	2014-03-19	cif/ Adding structures of 4121297 via cif-deposit CGI script.	4121297.cif