Crystallography Open Database

Information card for entry 7134733

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Coordinates	7134733.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C218.75 H318 B6 Mg3 N48 O6
Calculated formula	C218.75 H317.998 B6 Mg3 N48 O6
Title of publication	Development of electronically tuneable N-heterocyclic borates.
Authors of publication	Huerfano, I. J.; Gorobets, Evgueni; Zhou, Wen; Piers, Warren E.; Van Humbeck, Jeffrey F.; Derksen, Darren J.
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2025
Journal volume	61
Journal issue	57
Pages of publication	10610 - 10613
a	41.4755 ± 0.0004 Å
b	41.4755 ± 0.0004 Å
c	11.7891 ± 0.0002 Å
α	90°
β	90°
γ	120°
Cell volume	17562.8 ± 0.4 Å³
Cell temperature	173.15 K
Ambient diffraction temperature	173.15 K
Number of distinct elements	6
Space group number	148
Hermann-Mauguin space group symbol	R -3 :H
Hall space group symbol	-R 3
Residual factor for all reflections	0.0967
Residual factor for significantly intense reflections	0.0759
Weighted residual factors for significantly intense reflections	0.2312
Weighted residual factors for all reflections included in the refinement	0.2603
Goodness-of-fit parameter for all reflections included in the refinement	1.033
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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