Crystallography Open Database

Information card for entry 7128785

Preview

Coordinates	7128785.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H31 As B N7 O2 W
Calculated formula	C30 H31 As B N7 O2 W
SMILES	[W]12([n]3n(c(cc3C)C)[BH](n3[n]1c(cc3C)C)n1[n]2c(cc1C)C)(=C=[As]1c2c(Nc3ccccc13)cccc2)(C#[O])C#[O]
Title of publication	Heterocyclic arsinocarbynes via tandem transmetallation.
Authors of publication	Frogley, Benjamin J.; Hill, Anthony F.; Kirk, Ryan M.
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2021
Journal volume	57
Journal issue	70
Pages of publication	8770 - 8773
a	10.5457 ± 0.0003 Å
b	10.9949 ± 0.0003 Å
c	14.6439 ± 0.0004 Å
α	98.025 ± 0.003°
β	95.841 ± 0.002°
γ	115.1 ± 0.003°
Cell volume	1497.81 ± 0.08 Å³
Cell temperature	150 ± 0.1 K
Ambient diffraction temperature	150 ± 0.1 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0265
Residual factor for significantly intense reflections	0.0261
Weighted residual factors for significantly intense reflections	0.0699
Weighted residual factors for all reflections included in the refinement	0.0703
Goodness-of-fit parameter for all reflections included in the refinement	1.06
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
268503 (current)	2021-09-06	cif/ Updating files of 7128785, 7128786, 7128787, 7128788 Original log message: Adding full bibliography for 7128785--7128788.cif.	7128785.cif
268029	2021-08-12	cif/ Adding structures of 7128785, 7128786, 7128787, 7128788 via cif-deposit CGI script.	7128785.cif