Crystallography Open Database

Information card for entry 7134005

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Coordinates	7134005.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C48 H50 B2 Se3
Calculated formula	C48 H50 B2 Se3
Title of publication	Crystalline potassium boryl dithiolate and diselenolate.
Authors of publication	Dai, Yuyang; Wang, Yu; Wang, Liliang; Qi, Fan; Li, Qianli; Kong, Lingbing
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2024
Journal volume	61
Journal issue	1
Pages of publication	169 - 172
a	12.8396 ± 0.0001 Å
b	19.9939 ± 0.0002 Å
c	16.8684 ± 0.0002 Å
α	90°
β	95.423 ± 0.001°
γ	90°
Cell volume	4310.97 ± 0.08 Å³
Cell temperature	172.99 ± 0.1 K
Ambient diffraction temperature	172.99 ± 0.1 K
Number of distinct elements	4
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	0.0516
Residual factor for significantly intense reflections	0.036
Weighted residual factors for significantly intense reflections	0.0814
Weighted residual factors for all reflections included in the refinement	0.0925
Goodness-of-fit parameter for all reflections included in the refinement	1.071
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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