Crystallography Open Database

Information card for entry 4071369

Preview

Coordinates	4071369.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	compound5
Formula	C41 H72 O2 Si7
Calculated formula	C41 H72 O2 Si7
SMILES	[SiH](C1c2ccccc2Oc2ccccc12)(OC)c1c(cc(cc1C([Si](C)(C)C)[Si](C)(C)C)C([Si](C)(C)C)[Si](C)(C)C)C([Si](C)(C)C)[Si](C)(C)C
Title of publication	Synthesis of a 1-Hydrosilene Stable in Solution and Its Unique Properties#
Authors of publication	Ozaki, Shuhei; Sasamori, Takahiro; Tokitoh, Norihiro
Journal of publication	Organometallics
Year of publication	2008
Journal volume	27
Journal issue	10
Pages of publication	2163
a	10.1725 ± 0.0006 Å
b	11.8167 ± 0.0005 Å
c	20.9701 ± 0.001 Å
α	84.6454 ± 0.0016°
β	92.711 ± 0.002°
γ	73.972 ± 0.006°
Cell volume	2405.1 ± 0.2 Å³
Cell temperature	103 ± 2 K
Ambient diffraction temperature	103 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1184
Residual factor for significantly intense reflections	0.0599
Weighted residual factors for significantly intense reflections	0.1389
Weighted residual factors for all reflections included in the refinement	0.1632
Goodness-of-fit parameter for all reflections included in the refinement	1.001
Diffraction radiation wavelength	0.71069 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.	4071369.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4071369.cif
47256	2012-03-23	cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories.	4071369.cif
43170	2012-03-13	../uploads/cif-deposit/cod/cif Adding structures of 4071369 via cif-deposit CGI script.	4071369.cif