Crystallography Open Database

Information card for entry 7120318

7120317 << 7120318 >> 7120319

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Coordinates	7120318.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C67 H87 Al K N6 P3
Calculated formula	C67 H87 Al K N6 P3
SMILES	C1(N(CCN1c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C)=[P]1[Al](C(C)(C)C)([P]2=C3N(CCN3c3c(cc(cc3C)C)C)c3c(cc(cc3C)C)C)[P]([K]12)=C1N(CCN1c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C
Title of publication	An NHC‒phosphinidenyl as a synthon for new group 13/15 compounds
Authors of publication	Lemp, Otfried; Balmer, Markus; Reiter, Kevin; Weigend, Florian; von Hänisch, Carsten
Journal of publication	Chem. Commun.
Year of publication	2017
a	18.394 ± 0.0007 Å
b	18.394 ± 0.0007 Å
c	33.9598 ± 0.0012 Å
α	90°
β	90°
γ	120°
Cell volume	9950.6 ± 0.6 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100.02 K
Number of distinct elements	6
Space group number	148
Hermann-Mauguin space group symbol	R -3
Hall space group symbol	-R 3
Residual factor for all reflections	0.1055
Residual factor for significantly intense reflections	0.0562
Weighted residual factors for significantly intense reflections	0.108
Weighted residual factors for all reflections included in the refinement	0.1171
Goodness-of-fit parameter for all reflections included in the refinement	1.069
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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