Crystallography Open Database

Information card for entry 4074098

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Coordinates	4074098.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H38 N2 Ni2 Si2
Calculated formula	C24 H38 N2 Ni2 Si2
SMILES	[Ni]12345(C#[N]C(C)(C)C)[c]6([cH]4[cH]3[cH]2[cH]16)[Si](C)(C)[Ni]1234(C#[N]C(C)(C)C)[c]6([cH]4[cH]3[cH]2[cH]16)[Si]5(C)C
Title of publication	Synthesis, Molecular Structure, and Reactivity of the First Strained [2]Silanickelocenophane
Authors of publication	Braunschweig, Holger; Gross, Manuela; Radacki, Krzysztof
Journal of publication	Organometallics
Year of publication	2007
Journal volume	26
Journal issue	27
Pages of publication	6688
a	6.5827 ± 0.0002 Å
b	8.745 ± 0.0003 Å
c	11.4819 ± 0.0003 Å
α	100.362 ± 0.001°
β	90.349 ± 0.001°
γ	93.194 ± 0.001°
Cell volume	649.09 ± 0.03 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0249
Residual factor for significantly intense reflections	0.0232
Weighted residual factors for significantly intense reflections	0.0616
Weighted residual factors for all reflections included in the refinement	0.0624
Goodness-of-fit parameter for all reflections included in the refinement	1.064
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
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	4074098.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4074098.cif
47256	2012-03-23	cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories.	4074098.cif
46740	2012-03-21	../uploads/cif-deposit/cod/cif Adding structures of 4074098 via cif-deposit CGI script.	4074098.cif