Crystallography Open Database

Information card for entry 7250301

Preview

Coordinates	7250301.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H22 N10
Calculated formula	C30 H22 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	8.2859 ± 0.0007 Å
b	8.7094 ± 0.0009 Å
c	11.086 ± 0.0009 Å
α	102.35 ± 0.008°
β	100.096 ± 0.007°
γ	105.742 ± 0.008°
Cell volume	728.67 ± 0.13 Å³
Cell temperature	293.15 K
Ambient diffraction temperature	293.15 K
Number of distinct elements	3
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0992
Residual factor for significantly intense reflections	0.0619
Weighted residual factors for significantly intense reflections	0.1548
Weighted residual factors for all reflections included in the refinement	0.1805
Goodness-of-fit parameter for all reflections included in the refinement	1.05
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
300740 (current)	2025-07-06	cif/ Updating files of 7250300, 7250301, 7250302, 7250303, 7250304, 7250305, 7250306, 7250307, 7250308, 7250309, 7250310, 7250311, 7250312, 7250313, 7250314, 7250315, 7250316 Original log message: Adding full bibliography for 7250300--7250316.cif.	7250301.cif
299375	2025-04-24	cif/ Adding structures of 7250300, 7250301, 7250302, 7250303, 7250304, 7250305, 7250306, 7250307, 7250308, 7250309, 7250310, 7250311, 7250312, 7250313, 7250314, 7250315, 7250316 via cif-deposit CGI script.	7250301.cif