Crystallography Open Database

Information card for entry 7134007

Preview

Coordinates	7134007.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C88 H107 B3 K6 O4 S6
Calculated formula	C88 H107 B3 K6 O4 S6
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	14.8368 ± 0.0005 Å
b	17.0181 ± 0.0006 Å
c	20.5205 ± 0.0007 Å
α	88.753 ± 0.003°
β	70.986 ± 0.003°
γ	68.924 ± 0.003°
Cell volume	4544.1 ± 0.3 Å³
Cell temperature	173 ± 0.1 K
Ambient diffraction temperature	173 ± 0.1 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1086
Residual factor for significantly intense reflections	0.0768
Weighted residual factors for significantly intense reflections	0.1619
Weighted residual factors for all reflections included in the refinement	0.1762
Goodness-of-fit parameter for all reflections included in the refinement	1.105
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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