Crystallography Open Database

Information card for entry 7049847

Preview

Coordinates	7049847.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C60 H52 B2 N4 Se2
Calculated formula	C60 H52 B2 N4 Se2
Title of publication	Oxidative addition of elemental selenium to 1,4,2,5-diazadiborinine.
Authors of publication	Goh, Gillian Kor Hwee; Li, Yongxin; Kinjo, Rei
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2019
Journal volume	48
Journal issue	22
Pages of publication	7514 - 7518
a	13.734 ± 0.006 Å
b	14.18 ± 0.005 Å
c	15.375 ± 0.006 Å
α	65.974 ± 0.007°
β	75.771 ± 0.009°
γ	62.708 ± 0.008°
Cell volume	2423.9 ± 1.7 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.2213
Residual factor for significantly intense reflections	0.0959
Weighted residual factors for significantly intense reflections	0.2117
Weighted residual factors for all reflections included in the refinement	0.2677
Goodness-of-fit parameter for all reflections included in the refinement	1.026
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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