Crystallography Open Database

Information card for entry 1548905

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Coordinates	1548905.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H38 B K N2 O4
Calculated formula	C32 H37.75 B K N2 O4
Title of publication	Super electron donors derived from diboron.
Authors of publication	Zhang, Li; Jiao, Lei
Journal of publication	Chemical science
Year of publication	2018
Journal volume	9
Journal issue	10
Pages of publication	2711 - 2722
a	12.3892 ± 0.001 Å
b	40.276 ± 0.005 Å
c	12.9956 ± 0.0007 Å
α	90°
β	90.798 ± 0.007°
γ	90°
Cell volume	6484 ± 1 Å³
Cell temperature	175 ± 1 K
Ambient diffraction temperature	175 ± 1 K
Number of distinct elements	6
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0999
Residual factor for significantly intense reflections	0.0683
Weighted residual factors for significantly intense reflections	0.1631
Weighted residual factors for all reflections included in the refinement	0.1833
Goodness-of-fit parameter for all reflections included in the refinement	1
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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