Crystallography Open Database

Information card for entry 1573616

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Coordinates	1573616.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C2 H5 Cu I N
Calculated formula	C2 H5 Cu I N
Title of publication	Inducing piezoelectric behavior in a copper iodide cubane cluster-based metal-organic framework <i>via</i> linker engineering.
Authors of publication	Panda, Sankalpa N.; Pradhan, Prabhanjan; Nath, Satyapriya; Mohapatra, Jeebanjyoti; Patra, Biplab K.; Biswal, Bishnu P.
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2025
Journal volume	61
Journal issue	12
Pages of publication	2536 - 2539
a	17.5937 ± 0.0005 Å
b	17.5937 ± 0.0005 Å
c	7.3368 ± 0.0002 Å
α	90°
β	90°
γ	120°
Cell volume	1966.76 ± 0.1 Å³
Cell temperature	113 ± 19 K
Ambient diffraction temperature	113 ± 19 K
Number of distinct elements	5
Space group number	180
Hermann-Mauguin space group symbol	P 62 2 2
Hall space group symbol	P 62 2 (0 0 4)
Residual factor for all reflections	0.0551
Residual factor for significantly intense reflections	0.0539
Weighted residual factors for significantly intense reflections	0.1601
Weighted residual factors for all reflections included in the refinement	0.1631
Goodness-of-fit parameter for all reflections included in the refinement	1.0015
Diffraction radiation probe	x-ray
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
298076 (current)	2025-03-04	cif/ Updating files of 1573616 Original log message: Adding full bibliography for 1573616.cif.	1573616.cif
297232	2025-01-09	cif/ Adding structures of 1573616 via cif-deposit CGI script.	1573616.cif