Crystallography Open Database

Information card for entry 4131920

4131919 << 4131920 >> 4131921

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Coordinates	4131920.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C8 H24 Ca Ga2
Calculated formula	C8 H24 Ca Ga2
SMILES	C[Ga-](C)(C)C.C[Ga-](C)(C)C.[Ca+2]
Title of publication	Dimethylcalcium.
Authors of publication	Wolf, Benjamin M.; Stuhl, Christoph; Maichle-Mössmer, Cäcilia; Anwander, Reiner
Journal of publication	Journal of the American Chemical Society
Year of publication	2018
Journal volume	140
Journal issue	6
Pages of publication	2373 - 2383
a	7.388 ± 0.006 Å
b	19.802 ± 0.012 Å
c	9.63 ± 0.005 Å
α	90°
β	90°
γ	90°
Cell volume	1408.8 ± 1.6 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	36
Hermann-Mauguin space group symbol	C m c 21
Hall space group symbol	C 2c -2
Residual factor for all reflections	0.0189
Residual factor for significantly intense reflections	0.0172
Weighted residual factors for significantly intense reflections	0.0377
Weighted residual factors for all reflections included in the refinement	0.0384
Goodness-of-fit parameter for all reflections included in the refinement	1.017
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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