Crystallography Open Database

Information card for entry 4109750

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Coordinates	4109750.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C60 H88 B2 Mg N4 O2
Calculated formula	C60 H88 B2 Mg N4 O2
Title of publication	Synthesis, Structure of Borylmagnesium, and Its Reaction with Benzaldehyde to Form Benzoylborane
Authors of publication	Makoto Yamashita; Yuta Suzuki; Yasutomo Segawa; Kyoko Nozaki
Journal of publication	Journal of the American Chemical Society
Year of publication	2007
Journal volume	129
Pages of publication	9570 - 9571
a	25.376 ± 0.002 Å
b	41.133 ± 0.005 Å
c	10.9179 ± 0.0011 Å
α	90°
β	90°
γ	90°
Cell volume	11396 ± 2 Å³
Cell temperature	103 ± 2 K
Ambient diffraction temperature	103 ± 2 K
Number of distinct elements	6
Space group number	43
Hermann-Mauguin space group symbol	F d d 2
Hall space group symbol	F 2 -2d
Residual factor for all reflections	0.0702
Residual factor for significantly intense reflections	0.0695
Weighted residual factors for significantly intense reflections	0.1795
Weighted residual factors for all reflections included in the refinement	0.1799
Goodness-of-fit parameter for all reflections included in the refinement	1.156
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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