Crystallography Open Database

Information card for entry 7131168

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Coordinates	7131168.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C72 H110 Be2 Li2 N4 Si4
Calculated formula	C72 H110 Be2 Li2 N4 Si4
Title of publication	Beryllium-centred C-H activation of benzene.
Authors of publication	Pearce, Kyle G.; Hill, Michael S.; Mahon, Mary F.
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2023
Journal volume	59
Journal issue	11
Pages of publication	1453 - 1456
a	12.7041 ± 0.0002 Å
b	16.8932 ± 0.0003 Å
c	33.7442 ± 0.0005 Å
α	90°
β	92.349 ± 0.001°
γ	90°
Cell volume	7235.9 ± 0.2 Å³
Cell temperature	150 ± 0.1 K
Ambient diffraction temperature	150 ± 0.1 K
Number of distinct elements	6
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for all reflections	0.0635
Residual factor for significantly intense reflections	0.0606
Weighted residual factors for significantly intense reflections	0.16
Weighted residual factors for all reflections included in the refinement	0.1632
Goodness-of-fit parameter for all reflections included in the refinement	1.059
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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