Crystallography Open Database

Information card for entry 4131918

4131917 << 4131918 >> 4131919

Preview

Coordinates	4131918.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C55 H108 Ca2 O6
Calculated formula	C55 H108 Ca2 O6
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	12.3787 ± 0.0012 Å
b	19.6198 ± 0.0018 Å
c	12.7078 ± 0.0012 Å
α	90°
β	111.5 ± 0.001°
γ	90°
Cell volume	2871.6 ± 0.5 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0427
Residual factor for significantly intense reflections	0.0398
Weighted residual factors for significantly intense reflections	0.1045
Weighted residual factors for all reflections included in the refinement	0.107
Goodness-of-fit parameter for all reflections included in the refinement	1.057
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4131918.html