Crystallography Open Database

Information card for entry 7716417

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Coordinates	7716417.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H28 N4 O2.5 S
Calculated formula	C18 H28 N4 O2.5 S
Title of publication	Electron-rich pyridines with para-N-heterocyclic imine substituents: ligand properties and coordination to CO2, SO2, BCl3 and PdII complexes
Authors of publication	Franzen, Jonas Hermann; Wilm, Lukas F. B.; Rotering, Philipp; Wurst, Klaus; Seidl, Michael; Dielmann, Fabian
Journal of publication	Dalton Transactions
Year of publication	2024
a	20.7329 ± 0.0003 Å
b	10.4181 ± 0.0001 Å
c	17.8347 ± 0.0002 Å
α	90°
β	95.7146 ± 0.0006°
γ	90°
Cell volume	3833.1 ± 0.08 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0606
Residual factor for significantly intense reflections	0.0553
Weighted residual factors for significantly intense reflections	0.1371
Weighted residual factors for all reflections included in the refinement	0.1412
Goodness-of-fit parameter for all reflections included in the refinement	1.021
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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