Crystallography Open Database

Information card for entry 7125958

Preview

Coordinates	7125958.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C106 H130 B4 N24 O8 W4
Calculated formula	C106 H130 B4 N24 O8 W4
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	23.8078 ± 0.0008 Å
b	25.26 ± 0.0006 Å
c	25.4589 ± 0.0009 Å
α	90°
β	114.84 ± 0.004°
γ	90°
Cell volume	13894.1 ± 0.9 Å³
Cell temperature	150 ± 0.1 K
Ambient diffraction temperature	150 ± 0.1 K
Number of distinct elements	6
Space group number	12
Hermann-Mauguin space group symbol	I 1 2/m 1
Hall space group symbol	-I 2y
Residual factor for all reflections	0.0642
Residual factor for significantly intense reflections	0.0523
Weighted residual factors for significantly intense reflections	0.1385
Weighted residual factors for all reflections included in the refinement	0.1497
Goodness-of-fit parameter for all reflections included in the refinement	1.026
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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