Crystallography Open Database

Information card for entry 7112011

7112010 << 7112011 >> 7112012

Preview

Coordinates	7112011.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C48 H56 Ca O5 Si2
Calculated formula	C48 H56 Ca O5 Si2
SMILES	[Ca]123([Si](c4ccccc4)(c4ccccc4)c4ccccc4)([Si](c4ccccc4)(c4ccccc4)c4ccccc4)([O](C)CC[O]1CC[O]2CC[O]3C)[O]1CCCC1
Title of publication	Hydrosilylation catalysis by an earth alkaline metal silyl: synthesis, characterization, and reactivity of bis(triphenylsilyl)calcium
Authors of publication	Valeri Leich; Thomas P. Spaniol; Laurent Maron; Jun Okuda
Journal of publication	Chem.Commun.
Year of publication	2014
Journal volume	50
Pages of publication	2311
a	9.408 ± 0.003 Å
b	15.948 ± 0.005 Å
c	14.884 ± 0.003 Å
α	90°
β	106.145 ± 0.005°
γ	90°
Cell volume	2145.1 ± 1.1 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	7
Hermann-Mauguin space group symbol	P 1 c 1
Hall space group symbol	P -2yc
Residual factor for all reflections	0.1678
Residual factor for significantly intense reflections	0.0765
Weighted residual factors for significantly intense reflections	0.1706
Weighted residual factors for all reflections included in the refinement	0.2242
Goodness-of-fit parameter for all reflections included in the refinement	0.959
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.	7112011.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7112011.cif
103339	2014-02-28	cif/ Adding structures of 7112010, 7112011 via cif-deposit CGI script.	7112011.cif