Crystallography Open Database

Information card for entry 7125953

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Coordinates	7125953.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C72 H108 B2 N12 O4 W2
Calculated formula	C72 H108 B2 N12 O4 W2
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	13.2449 ± 0.0008 Å
b	18.7892 ± 0.0006 Å
c	16.1898 ± 0.0007 Å
α	90°
β	107.336 ± 0.006°
γ	90°
Cell volume	3846 ± 0.3 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/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0639
Residual factor for significantly intense reflections	0.0485
Weighted residual factors for significantly intense reflections	0.1161
Weighted residual factors for all reflections included in the refinement	0.1246
Goodness-of-fit parameter for all reflections included in the refinement	1.04
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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