Crystallography Open Database

Information card for entry 4342252

Preview

Coordinates	4342252.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C31 H28 Cu I N4 O Si
Calculated formula	C31 H28 Cu I N4 O Si
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	10.087 ± 0.004 Å
b	11.412 ± 0.004 Å
c	14.137 ± 0.006 Å
α	112.294 ± 0.01°
β	95.693 ± 0.009°
γ	99.292 ± 0.009°
Cell volume	1462.8 ± 1 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1156
Residual factor for significantly intense reflections	0.0556
Weighted residual factors for significantly intense reflections	0.1445
Weighted residual factors for all reflections included in the refinement	0.1802
Goodness-of-fit parameter for all reflections included in the refinement	0.986
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
179525 (current)	2016-03-24	cif/4/34/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/34/22.	4342252.cif
132818	2015-03-04	cif/ Updating files of 4342249, 4342250, 4342251, 4342252, 4342253, 4342254, 4342255 Original log message: Adding full bibliography for 4342249--4342255.cif.	4342252.cif
130474	2015-02-04	cif/ Adding structures of 4342252 via cif-deposit CGI script.	4342252.cif