Crystallography Open Database

Information card for entry 7125955

Preview

Coordinates	7125955.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32.5 H32 B Cl N6 O2 W
Calculated formula	C32.5 H32 B Cl 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	37.593 ± 0.0003 Å
b	10.4555 ± 0.0001 Å
c	32.1962 ± 0.0003 Å
α	90°
β	96.483 ± 0.001°
γ	90°
Cell volume	12573.9 ± 0.2 Å³
Cell temperature	150 ± 0.1 K
Ambient diffraction temperature	150 ± 0.1 K
Number of distinct elements	7
Space group number	15
Hermann-Mauguin space group symbol	I 1 2/a 1
Hall space group symbol	-I 2ya
Residual factor for all reflections	0.0315
Residual factor for significantly intense reflections	0.0295
Weighted residual factors for significantly intense reflections	0.0718
Weighted residual factors for all reflections included in the refinement	0.0732
Goodness-of-fit parameter for all reflections included in the refinement	1.08
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.	7125955.cif
248013	2020-02-11	cif/ Adding structures of 7125951, 7125952, 7125953, 7125954, 7125955, 7125956, 7125957, 7125958, 7125959 via cif-deposit CGI script.	7125955.cif