Crystallography Open Database

Information card for entry 4070171

Preview

Coordinates	4070171.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	1,1-bis[kappa-O,N-(8-oxyquinolinato)]silacyclopentane THF-hemisolvate
Formula	C48 H48 N4 O5 Si2
Calculated formula	C48 H48 N4 O5 Si2
Title of publication	Hypercoordinate Silacycloalkanes: Step-by-Step Tuning of N→Si Interactions§
Authors of publication	Brendler, Erica; Wächtler, Erik; Wagler, Jörg
Journal of publication	Organometallics
Year of publication	2009
Journal volume	28
Journal issue	18
Pages of publication	5459
a	32.107 ± 0.002 Å
b	8.2085 ± 0.0006 Å
c	19.9681 ± 0.0015 Å
α	90°
β	127.929 ± 0.003°
γ	90°
Cell volume	4151 ± 0.5 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 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	0.0854
Residual factor for significantly intense reflections	0.0407
Weighted residual factors for significantly intense reflections	0.0877
Weighted residual factors for all reflections included in the refinement	0.0985
Goodness-of-fit parameter for all reflections included in the refinement	1.023
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
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.	4070171.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4070171.cif
47256	2012-03-23	cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories.	4070171.cif
40616	2012-03-08	../uploads/cif-deposit/cod/cif Adding structures of 4070169, 4070170, 4070171, 4070172, 4070173, 4070174, 4070175, 4070176 via cif-deposit CGI script.	4070171.cif