Crystallography Open Database

Information card for entry 4104458

Preview

Coordinates	4104458.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	HLSi(OTf)-Ni(CO)3*1/2hexane
Formula	C36 H48 F3 N2 Ni O6 S Si
Calculated formula	C36 H48 F3 N2 Ni O6 S Si
Title of publication	Diketiminate Silicon(II) and Related NHSi Ligands Generated in the Coordination Sphere of Nickel(0)
Authors of publication	Antje Meltzer; Carsten Präsang; Matthias Driess
Journal of publication	Journal of the American Chemical Society
Year of publication	2009
Journal volume	131
Pages of publication	7232 - 7233
a	10.8132 ± 0.0003 Å
b	11.6057 ± 0.0003 Å
c	17.4222 ± 0.0005 Å
α	105.188 ± 0.003°
β	98.328 ± 0.002°
γ	107.146 ± 0.003°
Cell volume	1956.91 ± 0.11 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	8
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0523
Residual factor for significantly intense reflections	0.0364
Weighted residual factors for significantly intense reflections	0.0791
Weighted residual factors for all reflections included in the refinement	0.0836
Goodness-of-fit parameter for all reflections included in the refinement	1.016
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
178790 (current)	2016-03-21	cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/44.	4104458.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4104458.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4104458.cif
29482	2011-11-03	../uploads/cif-deposit/cod/cif Adding structures of 4104458 via cif-deposit CGI script.	4104458.cif