Crystallography Open Database

Information card for entry 4077590

Preview

Coordinates	4077590.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19 H31 Cl N2 Si3
Calculated formula	C19 H31 Cl N2 Si3
Title of publication	Hypervalent Silicon via Intramolecular Coordination in a Four-Membered Ring in Complexes of Substituted Pyridyl Ligands
Authors of publication	van den Ancker, Tania R.; Raston, Colin L.; Skelton, Brian W.; White, Allan H.
Journal of publication	Organometallics
Year of publication	2000
Journal volume	19
Journal issue	22
Pages of publication	4437
a	19.155 ± 0.007 Å
b	9.868 ± 0.001 Å
c	12.412 ± 0.012 Å
α	90°
β	100.49 ± 0.06°
γ	90°
Cell volume	2307 ± 2 Å³
Cell temperature	293 K
Ambient diffraction temperature	293 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.065
Residual factor for significantly intense reflections	0.046
Weighted residual factors for all reflections	0.052
Weighted residual factors for all reflections included in the refinement	0.049
Goodness-of-fit parameter for all reflections	1.905
Goodness-of-fit parameter for all reflections included in the refinement	2.155
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.	4077590.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4077590.cif
54635	2012-04-28	cif/ Adding structures of 4077589, 4077590, 4077591 via cif-deposit CGI script.	4077590.cif