Crystallography Open Database

Information card for entry 7134333

Preview

Coordinates	7134333.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C46 H50 Cd2 N10 O14 Se2
Calculated formula	C46 H50 Cd2 N10 O14 Se2
Title of publication	Chalcogen bonded metal–organic frameworks: insights from X-ray analysis and theoretical calculations
Authors of publication	Aliyeva, Vusala A.; André, Vânia; Martins, Luísa M. D. R. S.; Gurbanov, Atash V.; Gomila, Rosa M.; Frontera, Antonio; Cruz, Tiago F. C.; Mahmudov, Kamran T.
Journal of publication	Chemical Communications
Year of publication	2025
Journal volume	61
Journal issue	32
Pages of publication	5962 - 5965
a	11.593 ± 0.0004 Å
b	15.1366 ± 0.0005 Å
c	16.7568 ± 0.0006 Å
α	67.251 ± 0.001°
β	89.644 ± 0.001°
γ	68.013 ± 0.001°
Cell volume	2481.26 ± 0.15 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0457
Residual factor for significantly intense reflections	0.0392
Weighted residual factors for significantly intense reflections	0.0992
Weighted residual factors for all reflections included in the refinement	0.1038
Goodness-of-fit parameter for all reflections included in the refinement	1.032
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
300425 (current)	2025-07-06	cif/ Updating files of 7134332, 7134333 Original log message: Adding full bibliography for 7134332--7134333.cif.	7134333.cif
298472	2025-03-18	cif/ Adding structures of 7134332, 7134333 via cif-deposit CGI script.	7134333.cif