Crystallography Open Database

Information card for entry 7108874

Preview

Coordinates	7108874.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C31 H40 B Cr N3 O5 Si2
Calculated formula	C31 H40 B Cr N3 O5 Si2
SMILES	[Cr](C#[O])(C#[O])(C#[O])(C#[O])(C#[O])=C1N(c2c(cc(cc2C)C)C)B(/C1=N\c1c(cc(cc1C)C)C)N([Si](C)(C)C)[Si](C)(C)C
Title of publication	Cyclic (amino)(imino)carbene complexes by borylene transfer to isocyanides
Authors of publication	Holger Braunschweig; Thomas Herbst; Krzysztof Radacki; Christopher W. Tate; Alfredo Vargas
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2013
Journal volume	49
Journal issue	17
Pages of publication	1702 - 1704
a	9.0326 ± 0.0006 Å
b	22.2434 ± 0.0014 Å
c	9.4427 ± 0.0006 Å
α	90°
β	114.527 ± 0.003°
γ	90°
Cell volume	1726 ± 0.2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0334
Residual factor for significantly intense reflections	0.0285
Weighted residual factors for significantly intense reflections	0.0692
Weighted residual factors for all reflections included in the refinement	0.071
Goodness-of-fit parameter for all reflections included in the refinement	1.028
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Version history is temporarily not available due to server issues.