Crystallography Open Database

Information card for entry 7134332

Preview

Coordinates	7134332.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H21 N5 O7 Se Zn
Calculated formula	C21 H21 N5 O7 Se Zn
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	10.0822 ± 0.0007 Å
b	10.1131 ± 0.0007 Å
c	11.3662 ± 0.0007 Å
α	95.063 ± 0.002°
β	92.398 ± 0.002°
γ	98.918 ± 0.003°
Cell volume	1138.63 ± 0.13 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	0.0565
Residual factor for significantly intense reflections	0.0379
Weighted residual factors for significantly intense reflections	0.0954
Weighted residual factors for all reflections included in the refinement	0.1039
Goodness-of-fit parameter for all reflections included in the refinement	1.026
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
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.	7134332.cif
298472	2025-03-18	cif/ Adding structures of 7134332, 7134333 via cif-deposit CGI script.	7134332.cif