Crystallography Open Database

Information card for entry 4342251

Preview

Coordinates	4342251.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H21 Cu I N3 Si
Calculated formula	C28 H21 Cu I N3 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	10.6679 ± 0.0018 Å
b	17.828 ± 0.003 Å
c	13.673 ± 0.003 Å
α	90°
β	92.881 ± 0.004°
γ	90°
Cell volume	2597.1 ± 0.8 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0547
Residual factor for significantly intense reflections	0.0352
Weighted residual factors for significantly intense reflections	0.0755
Weighted residual factors for all reflections included in the refinement	0.0841
Goodness-of-fit parameter for all reflections included in the refinement	1.015
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.	4342251.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.	4342251.cif
130473	2015-02-04	cif/ Adding structures of 4342251 via cif-deposit CGI script.	4342251.cif