Crystallography Open Database

Information card for entry 7128787

Preview

Coordinates	7128787.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C49 H49 As B N6 O2 W
Calculated formula	C49 H49 As B N6 O2 W
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	41.967 ± 0.008 Å
b	10.063 ± 0.002 Å
c	28.004 ± 0.006 Å
α	90°
β	130.88 ± 0.03°
γ	90°
Cell volume	8942 ± 5 Å³
Cell temperature	100 ± 0.2 K
Ambient diffraction temperature	100 ± 0.2 K
Number of distinct elements	7
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0794
Residual factor for significantly intense reflections	0.0552
Weighted residual factors for significantly intense reflections	0.1397
Weighted residual factors for all reflections included in the refinement	0.1571
Goodness-of-fit parameter for all reflections included in the refinement	0.994
Diffraction radiation wavelength	0.710762 Å
Diffraction radiation type	Synchrotron
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.	7128787.cif
268029	2021-08-12	cif/ Adding structures of 7128785, 7128786, 7128787, 7128788 via cif-deposit CGI script.	7128787.cif