Crystallography Open Database

Information card for entry 7030336

Preview

Coordinates	7030336.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C54 H36 Cu6 I5 N12 P2 S2
Calculated formula	C54 H36 Cu6 I5 N12 P2 S2
Title of publication	A cationic copper(i) iodide cluster MOF exhibiting unusual ligand assisted thermochromism.
Authors of publication	Yadav, Ashok; Srivastava, Anant Kumar; Balamurugan, Ayyakkalai; Boomishankar, Ramamoorthy
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2014
Journal volume	43
Journal issue	22
Pages of publication	8166 - 8169
a	14.306 ± 0.004 Å
b	14.306 ± 0.004 Å
c	25.13 ± 0.007 Å
α	90°
β	90°
γ	120°
Cell volume	4454 ± 2 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	7
Space group number	176
Hermann-Mauguin space group symbol	P 63/m
Hall space group symbol	-P 6c
Residual factor for all reflections	0.0836
Residual factor for significantly intense reflections	0.0549
Weighted residual factors for significantly intense reflections	0.1568
Weighted residual factors for all reflections included in the refinement	0.1684
Goodness-of-fit parameter for all reflections included in the refinement	0.991
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7030336.html