Crystallography Open Database

Information card for entry 1556490

Preview

Coordinates	1556490.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H70 Be2 Cl2 O2 Si8
Calculated formula	C26 H70 Be2 Cl2 O2 Si8
SMILES	[Be]1([O]2CCCC2)([Si]([Si](C)(C)C)([Si](C)(C)C)[Si](C)(C)C)[Cl][Be]([O]2CCCC2)([Si]([Si](C)(C)C)([Si](C)(C)C)[Si](C)(C)C)[Cl]1
Title of publication	Insights into Molecular Beryllium-Silicon Bonds
Authors of publication	Naglav, D.; Tobey, B.; Dzialkowski, K.; Jansen, G.; Wolper, C.; Schulz, S.
Journal of publication	Inorganics
Year of publication	2017
Journal volume	5
Pages of publication	22
a	10.3667 ± 0.0007 Å
b	18.8628 ± 0.0012 Å
c	11.387 ± 0.0007 Å
α	90°
β	98.15 ± 0.004°
γ	90°
Cell volume	2204.2 ± 0.2 Å³
Cell temperature	100 ± 1 K
Ambient diffraction temperature	100 ± 1 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.1191
Residual factor for significantly intense reflections	0.0564
Weighted residual factors for significantly intense reflections	0.1074
Weighted residual factors for all reflections included in the refinement	0.1242
Goodness-of-fit parameter for all reflections included in the refinement	0.997
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
244982 (current)	2019-12-11	cif/ Adding structures of 1556490 via cif-deposit CGI script.	1556490.cif