Crystallography Open Database

Information card for entry 7250313

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Coordinates	7250313.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C46 H38 N10 S4
Calculated formula	C46 H38 N10 S4
Title of publication	Diverse tetracyanodihydrodipyrazinopyrazine clathrate crystals assembled from weak intermolecular interactions
Authors of publication	Watanabe, Kosuke; Sugiyama, Haruki; Segawa, Yasutomo
Journal of publication	CrystEngComm
Year of publication	2025
Journal volume	27
Journal issue	21
Pages of publication	3552 - 3559
a	10.4879 ± 0.0005 Å
b	10.8573 ± 0.0005 Å
c	11.2117 ± 0.0005 Å
α	68.012 ± 0.004°
β	68.117 ± 0.004°
γ	86.081 ± 0.004°
Cell volume	1094.75 ± 0.1 Å³
Cell temperature	143.15 K
Ambient diffraction temperature	143.15 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1227
Residual factor for significantly intense reflections	0.0997
Weighted residual factors for significantly intense reflections	0.2861
Weighted residual factors for all reflections included in the refinement	0.314
Goodness-of-fit parameter for all reflections included in the refinement	1.077
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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