Crystallography Open Database

Information card for entry 7247653

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Coordinates	7247653.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H12 N5
Calculated formula	C21 H12 N5
Title of publication	Formation of charge-transfer complexes in ionic crystals composed of 1,3-bis(dicyanomethylidene)indan anion and viologens bearing alkyl chains
Authors of publication	Saito, Erika; Yamakado, Ryohei; Yasuhara, Taichi; Yamaguchi, Hiroto; Okada, Shuji; Yoshida, Tsukasa
Journal of publication	RSC Advances
Year of publication	2023
Journal volume	13
Journal issue	45
Pages of publication	32039 - 32044
a	16.311 ± 0.0004 Å
b	19.5847 ± 0.0004 Å
c	11.1122 ± 0.0003 Å
α	90°
β	108.012 ± 0.003°
γ	90°
Cell volume	3375.78 ± 0.15 Å³
Cell temperature	93 K
Ambient diffraction temperature	93 K
Number of distinct elements	3
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	0.0462
Residual factor for significantly intense reflections	0.0401
Weighted residual factors for significantly intense reflections	0.1058
Weighted residual factors for all reflections included in the refinement	0.1115
Goodness-of-fit parameter for all reflections included in the refinement	1.043
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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