Crystallography Open Database

Information card for entry 4077612

Preview

Coordinates	4077612.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	di(bis(TMS)benzyl)calcium.THF2
Formula	C17 H31 Ca0.5 O Si2
Calculated formula	C17 H31 Ca0.5 O Si2
Title of publication	α,α-Bis(trimethylsilyl)-Substituted Benzyl Complexes of Potassium and Calcium
Authors of publication	Feil, Florian; Harder, Sjoerd
Journal of publication	Organometallics
Year of publication	2000
Journal volume	19
Journal issue	24
Pages of publication	5010
a	19.974 ± 0.005 Å
b	9.9 ± 0.001 Å
c	22.472 ± 0.005 Å
α	90°
β	122.375 ± 0.009°
γ	90°
Cell volume	3753 ± 1.4 Å³
Cell temperature	183 ± 2 K
Ambient diffraction temperature	183 ± 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	0.0803
Residual factor for significantly intense reflections	0.0421
Weighted residual factors for significantly intense reflections	0.1003
Weighted residual factors for all reflections included in the refinement	0.1136
Goodness-of-fit parameter for all reflections included in the refinement	1.004
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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