Crystallography Open Database

Information card for entry 7711096

Preview

Coordinates	7711096.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H20 F6 N8 O6 S2
Calculated formula	C20 H20 F6 N8 O6 S2
Title of publication	Modulation of the structural information in shape-defined heterocyclic strands: the case of a (pyridine-hydrazone)2pyrazine ligand
Authors of publication	Thangavel, Muthu Kumar; Harrowfield, Jack; Bailly, Corinne; Karmazin, Lydia; Stadler, Adrian-Mihail
Journal of publication	Dalton Transactions
Year of publication	2022
a	13.2444 ± 0.0004 Å
b	9.4288 ± 0.0003 Å
c	21.4191 ± 0.0007 Å
α	90°
β	92.334 ± 0.002°
γ	90°
Cell volume	2672.57 ± 0.15 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
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	0.106
Residual factor for significantly intense reflections	0.0776
Weighted residual factors for significantly intense reflections	0.2057
Weighted residual factors for all reflections included in the refinement	0.2318
Goodness-of-fit parameter for all reflections included in the refinement	1.063
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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