Crystallography Open Database

Information card for entry 1568311

Preview

Coordinates	1568311.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C43 H61 B2 F3 Ge N3 O3 P S
Calculated formula	C43 H61 B2 F3 Ge N3 O3 P S
SMILES	[GeH2](=C1N(C=CN1c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C)[BH2][P](c1ccccc1)(c1ccccc1)[BH2][N](C)(C)C.S(=O)(=O)([O-])C(F)(F)F
Title of publication	A convenient route to mixed cationic group 13/14/15 compounds
Authors of publication	Ackermann, Matthias T.; Seidl, Michael; Grande, Riccardo; Zhou, Yuqiao; Ferguson, Michael J.; Timoshkin, Alexey Y.; Rivard, Eric; Scheer, Manfred
Journal of publication	Chemical Science
Year of publication	2023
Journal volume	14
Journal issue	9
Pages of publication	2313 - 2317
a	9.9956 ± 0.001 Å
b	14.6178 ± 0.0015 Å
c	32.816 ± 0.003 Å
α	90°
β	96.941 ± 0.002°
γ	90°
Cell volume	4759.7 ± 0.8 Å³
Cell temperature	193 ± 2 K
Ambient diffraction temperature	193 ± 2 K
Number of distinct elements	9
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0661
Residual factor for significantly intense reflections	0.0438
Weighted residual factors for significantly intense reflections	0.1077
Weighted residual factors for all reflections included in the refinement	0.1216
Goodness-of-fit parameter for all reflections included in the refinement	1.036
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
281383 (current)	2023-03-04	cif/ Updating files of 1568311, 1568312, 1568313, 1568314 Original log message: Adding full bibliography for 1568311--1568314.cif.	1568311.cif
280475	2023-01-21	cif/ Adding structures of 1568311, 1568312, 1568313, 1568314 via cif-deposit CGI script.	1568311.cif