Crystallography Open Database

Information card for entry 4075474

Preview

Coordinates	4075474.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H30 Be N2
Calculated formula	C23 H30 Be N2
SMILES	N1(C(N(C(=C1C)C)C(C)C)=[Be](c1ccccc1)c1ccccc1)C(C)C
Title of publication	The First Carbene Complex of a Diorganoberyllium: Synthesis and Structural Characterization of Ph2Be(i-Pr-carbene) and Ph2Be(n-Bu2O)
Authors of publication	Gottfriedsen, Jochen; Blaurock, Steffen
Journal of publication	Organometallics
Year of publication	2006
Journal volume	25
Journal issue	15
Pages of publication	3784
a	9.363 ± 0.0003 Å
b	25.2755 ± 0.0008 Å
c	9.6082 ± 0.0003 Å
α	90°
β	112.724 ± 0.001°
γ	90°
Cell volume	2097.32 ± 0.12 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 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	0.0787
Residual factor for significantly intense reflections	0.0589
Weighted residual factors for significantly intense reflections	0.1563
Weighted residual factors for all reflections included in the refinement	0.1686
Goodness-of-fit parameter for all reflections included in the refinement	1.109
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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