Crystallography Open Database

Information card for entry 4074097

Preview

Coordinates	4074097.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	[2]ansasilanicklocenen
Chemical name	[2]ansatetramethylsilanicklocenen
Formula	C14 H20 Ni Si2
Calculated formula	C14 H20 Ni Si2
SMILES	[Ni]123456789[c]%10([cH]1[cH]2[cH]3[cH]4%10)[Si]([Si](C)(C)[c]15[cH]6[cH]7[cH]8[cH]91)(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	8.1406 ± 0.0002 Å
b	16.775 ± 0.0004 Å
c	21.4929 ± 0.0005 Å
α	90°
β	90.5 ± 0.001°
γ	90°
Cell volume	2934.93 ± 0.12 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
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	0.0412
Residual factor for significantly intense reflections	0.03
Weighted residual factors for significantly intense reflections	0.0712
Weighted residual factors for all reflections included in the refinement	0.0755
Goodness-of-fit parameter for all reflections included in the refinement	1.04
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
178629 (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 4/07/40.	4074097.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4074097.cif
47256	2012-03-23	cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories.	4074097.cif
46739	2012-03-21	../uploads/cif-deposit/cod/cif Adding structures of 4074097 via cif-deposit CGI script.	4074097.cif