Crystallography Open Database

Information card for entry 7112010

7112009 << 7112010 >> 7112011

Preview

Coordinates	7112010.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C52 H62 Ca O4 Si2
Calculated formula	C52 H62 Ca O4 Si2
SMILES	c1(ccccc1)[Si](c1ccccc1)(c1ccccc1)[Ca]([O]1CCCC1)([O]1CCCC1)([O]1CCCC1)([O]1CCCC1)[Si](c1ccccc1)(c1ccccc1)c1ccccc1
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	10.137 ± 0.001 Å
b	11.833 ± 0.002 Å
c	20.015 ± 0.002 Å
α	90°
β	105.746 ± 0.006°
γ	90°
Cell volume	2310.7 ± 0.5 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0932
Residual factor for significantly intense reflections	0.0545
Weighted residual factors for significantly intense reflections	0.102
Weighted residual factors for all reflections included in the refinement	0.1183
Goodness-of-fit parameter for all reflections included in the refinement	1.033
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
180234 (current)	2016-03-26	cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/20.	7112010.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7112010.cif
103339	2014-02-28	cif/ Adding structures of 7112010, 7112011 via cif-deposit CGI script.	7112010.cif