Crystallography Open Database

Information card for entry 7709823

Preview

Coordinates	7709823.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H38 B2 N2
Calculated formula	C28 H38 B2 N2
SMILES	N(c2cccc3cccc([NH+](C)C)c23)(C)C.c12cccc3cccc(c13)[B](C)(C)[H][B]2(C)C
Title of publication	Frustrated Lewis pair chemistry of hydride sponges
Authors of publication	Becker, Christian; Schwabedissen, Jan; Neumann, Beate; Stammler, Hans-Georg; Mitzel, Norbert W.
Journal of publication	Dalton Transactions
Year of publication	2022
a	12.06495 ± 0.00018 Å
b	14.3416 ± 0.0002 Å
c	15.7603 ± 0.0002 Å
α	90.0174 ± 0.0012°
β	90.4587 ± 0.0013°
γ	110.275 ± 0.0014°
Cell volume	2557.95 ± 0.07 Å³
Cell temperature	200 ± 0.1 K
Ambient diffraction temperature	200 ± 0.1 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0869
Residual factor for significantly intense reflections	0.0573
Weighted residual factors for significantly intense reflections	0.1588
Weighted residual factors for all reflections included in the refinement	0.1754
Goodness-of-fit parameter for all reflections included in the refinement	1.018
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
273943 (current)	2022-03-24	cif/ Adding structures of 7709813, 7709814, 7709815, 7709816, 7709817, 7709818, 7709819, 7709820, 7709821, 7709822, 7709823 via cif-deposit CGI script.	7709823.cif