Crystallography Open Database

Information card for entry 7125957

Preview

Coordinates	7125957.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H29 B N6 O2 W
Calculated formula	C28 H29 B N6 O2 W
Title of publication	Bi- and poly(carbyne) functionalised polycyclic aromatics.
Authors of publication	Frogley, Benjamin J.; Hill, Anthony F.; Seitz, Antonia
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2020
Journal volume	56
Journal issue	22
Pages of publication	3265 - 3268
a	7.9431 ± 0.0004 Å
b	17.7548 ± 0.0008 Å
c	19.9617 ± 0.0009 Å
α	90°
β	99.821 ± 0.004°
γ	90°
Cell volume	2773.9 ± 0.2 Å³
Cell temperature	150 ± 0.1 K
Ambient diffraction temperature	150 ± 0.1 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	0.0679
Residual factor for significantly intense reflections	0.0589
Weighted residual factors for significantly intense reflections	0.1409
Weighted residual factors for all reflections included in the refinement	0.1476
Goodness-of-fit parameter for all reflections included in the refinement	1.117
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
250159 (current)	2020-04-05	cif/ Updating files of 7125951, 7125952, 7125953, 7125954, 7125955, 7125956, 7125957, 7125958, 7125959 Original log message: Adding full bibliography for 7125951--7125959.cif.	7125957.cif
248013	2020-02-11	cif/ Adding structures of 7125951, 7125952, 7125953, 7125954, 7125955, 7125956, 7125957, 7125958, 7125959 via cif-deposit CGI script.	7125957.cif