Crystallography Open Database

Information card for entry 4342253

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Coordinates	4342253.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C56 H42 Cu6 I6 N6 Si2
Calculated formula	C56 H41.9994 Cu6 I6 N6 Si2
Title of publication	Thermochromic and Mechanochromic Luminescence Umpolung in Isostructural Metal-Organic Frameworks Based on Cu6I6 Clusters.
Authors of publication	Deshmukh, Mahesh S.; Yadav, Ashok; Pant, Rakesh; Boomishankar, Ramamoorthy
Journal of publication	Inorganic chemistry
Year of publication	2015
Journal volume	54
Journal issue	4
Pages of publication	1337 - 1345
a	13.076 ± 0.002 Å
b	13.076 ± 0.002 Å
c	30.416 ± 0.005 Å
α	90°
β	90°
γ	120°
Cell volume	4503.8 ± 1.2 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	6
Space group number	148
Hermann-Mauguin space group symbol	R -3 :H
Hall space group symbol	-R 3
Residual factor for all reflections	0.066
Residual factor for significantly intense reflections	0.0357
Weighted residual factors for significantly intense reflections	0.0737
Weighted residual factors for all reflections included in the refinement	0.0857
Goodness-of-fit parameter for all reflections included in the refinement	1
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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