Crystallography Open Database

Information card for entry 7250307

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Coordinates	7250307.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H27 I N10
Calculated formula	C36 H27 I N10
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	8.175 ± 0.0004 Å
b	9.1048 ± 0.0005 Å
c	11.3499 ± 0.0006 Å
α	81.725 ± 0.004°
β	77.867 ± 0.004°
γ	76.129 ± 0.004°
Cell volume	797.93 ± 0.07 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	0.0729
Residual factor for significantly intense reflections	0.0517
Weighted residual factors for significantly intense reflections	0.129
Weighted residual factors for all reflections included in the refinement	0.1415
Goodness-of-fit parameter for all reflections included in the refinement	1.019
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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