Crystallography Open Database

Information card for entry 7245995

Preview

Coordinates	7245995.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C11 H7 Cl2 Cu N O4
Calculated formula	C11 H7 Cl2 Cu N O4
Title of publication	Exploration of Cl⋯Cl and π⋯π stacking contacts along with the conductivity properties of a Cu-MOF featured with paddle-wheel SBUs
Authors of publication	Naaz, Sanobar; Das, Pubali; Mukherjee, Souvik; Khan, Samim; Pramanik, Goutam; Ghosh, Prasanta; Frontera, Antonio; Ray, Partha Pratim; Mir, Mohammad Hedayetullah
Journal of publication	CrystEngComm
Year of publication	2023
Journal volume	25
Journal issue	5
Pages of publication	813 - 821
a	7.8327 ± 0.0011 Å
b	8.7671 ± 0.0013 Å
c	10.3665 ± 0.0015 Å
α	109.953 ± 0.006°
β	105.723 ± 0.006°
γ	95.799 ± 0.007°
Cell volume	629.2 ± 0.16 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.0863
Residual factor for significantly intense reflections	0.0841
Weighted residual factors for significantly intense reflections	0.2641
Weighted residual factors for all reflections included in the refinement	0.2653
Goodness-of-fit parameter for all reflections included in the refinement	1.021
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
281423 (current)	2023-03-04	cif/ Updating files of 7245995 Original log message: Adding full bibliography for 7245995.cif.	7245995.cif
279840	2022-12-13	cif/ Adding structures of 7245995 via cif-deposit CGI script.	7245995.cif