Crystallography Open Database

Information card for entry 7717986

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Coordinates	7717986.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C82 H104 N10 Ni O4 S2
Calculated formula	C82 H104 N10 Ni O4 S2
Title of publication	Triple-chromic (photo-, thermo-, and mechano-chromic) metal complexes containing <i>N</i>-salicylideneaminopyridine ligands.
Authors of publication	Sugiyama, Haruki; Arita, Atsuko; Sekine, Akiko; Uekusa, Hidehiro
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2025
Journal volume	54
Journal issue	14
Pages of publication	5668 - 5674
a	39.1141 ± 0.0007 Å
b	16.097 ± 0.0003 Å
c	12.949 ± 0.0002 Å
α	90°
β	95.1466 ± 0.0008°
γ	90°
Cell volume	8120.1 ± 0.2 Å³
Cell temperature	93 ± 2 K
Ambient diffraction temperature	93.15 K
Number of distinct elements	6
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	0.0789
Residual factor for significantly intense reflections	0.0629
Weighted residual factors for significantly intense reflections	0.161
Weighted residual factors for all reflections included in the refinement	0.1702
Goodness-of-fit parameter for all reflections included in the refinement	1.077
Diffraction radiation wavelength	1.54186 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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