Crystallography Open Database

Information card for entry 7057233

Preview

Coordinates	7057233.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H42 Cl2 Cu2 N6 O16
Calculated formula	C40 H42 Cl2 Cu2 N6 O16
Title of publication	Cu(ii)-Based binuclear compound for the application of photosensitive electronic devices
Authors of publication	Dutta, Basudeb; Dey, Arka; Naskar, Kaushik; Ahmed, Faruk; Purkait, Rakesh; Islam, Sakhiul; Ghosh, Soumen; Sinha, Chittaranjan; Ray, Partha Pratim; Mir, Mohammad Hedayetullah
Journal of publication	New Journal of Chemistry
Year of publication	2018
Journal volume	42
Journal issue	11
Pages of publication	8629
a	8.3736 ± 0.0008 Å
b	10.9069 ± 0.0009 Å
c	14.128 ± 0.0014 Å
α	101.86 ± 0.004°
β	96.035 ± 0.005°
γ	105.536 ± 0.004°
Cell volume	1198.9 ± 0.2 Å³
Cell temperature	273 ± 2 K
Ambient diffraction temperature	273 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.06
Residual factor for significantly intense reflections	0.0523
Weighted residual factors for significantly intense reflections	0.1471
Weighted residual factors for all reflections included in the refinement	0.158
Goodness-of-fit parameter for all reflections included in the refinement	1.059
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
230538 (current)	2019-11-17	cif/ Updating files of 7057233 Original log message: Adding full bibliography for 7057233.cif.	7057233.cif
207205	2018-04-03	cif/ Adding structures of 7057233 via cif-deposit CGI script.	7057233.cif