Crystallography Open Database

Information card for entry 7250308

Preview

Coordinates	7250308.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H26 Cl2 N10
Calculated formula	C36 H26 Cl2 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	11.7987 ± 0.0004 Å
b	19.0987 ± 0.0004 Å
c	23.8997 ± 0.0006 Å
α	90°
β	103.244 ± 0.003°
γ	90°
Cell volume	5242.3 ± 0.3 Å³
Cell temperature	143.15 K
Ambient diffraction temperature	143.15 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1134
Residual factor for significantly intense reflections	0.0775
Weighted residual factors for significantly intense reflections	0.2194
Weighted residual factors for all reflections included in the refinement	0.2429
Goodness-of-fit parameter for all reflections included in the refinement	1.05
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7250308.html