Crystallography Open Database

Information card for entry 4086388

Preview

Coordinates	4086388.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23.92 H50.77 Ca I1.02 O4 Si0.98
Calculated formula	C23.9144 H50.7646 Ca I1.0214 O4 Si0.9786
Title of publication	Trimethylsilylmethylcalcium Iodide, an Easily Accessible Grignard-Type Reagent of a Heavy Alkaline Earth Metal
Authors of publication	Köhler, Mathias; Koch, Alexander; Görls, Helmar; Westerhausen, Matthias
Journal of publication	Organometallics
Year of publication	2016
Journal volume	35
Journal issue	2
Pages of publication	242
a	17.6823 ± 0.0003 Å
b	17.4313 ± 0.0003 Å
c	10.0658 ± 0.0002 Å
α	90°
β	100.715 ± 0.001°
γ	90°
Cell volume	3048.44 ± 0.1 Å³
Cell temperature	133 ± 2 K
Ambient diffraction temperature	133 ± 2 K
Number of distinct elements	6
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	0.0252
Residual factor for significantly intense reflections	0.0225
Weighted residual factors for significantly intense reflections	0.0452
Weighted residual factors for all reflections included in the refinement	0.0464
Goodness-of-fit parameter for all reflections included in the refinement	1.078
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
175804 (current)	2016-02-04	cif/ Updating files of 4086388 Original log message: Adding full bibliography for 4086388.cif.	4086388.cif
173617	2016-01-07	cif/ Adding structures of 4086388 via cif-deposit CGI script.	4086388.cif