Crystallography Open Database

Information card for entry 7709244

Preview

Coordinates	7709244.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H16 Ce Cu N10 O18
Calculated formula	C20 H16 Ce Cu N10 O18
SMILES	[Ce]123456([O]=N(=O)O2)([O]=N(=O)O1)(ON(=[O]5)=O)(ON(=O)=[O]4)(ON(=[O]6)=O)[O]=N(=O)O3.[Cu]12([n]3c(c4[n]1cccc4)cccc3)[n]1c(cccc1)c1[n]2cccc1
Title of publication	De novo synthesis of hybrid d–f block metal complex salts for electronic charge transport applications
Authors of publication	Mahato, Shreya; Mondal, Amit; Das, Mainak; Joshi, Mayank; Ray, Partha Pratim; Roy Choudhury, Angshuman; Reddy, C. Malla; Biswas, Bhaskar
Journal of publication	Dalton Transactions
Year of publication	2022
a	18.183 ± 0.004 Å
b	16.108 ± 0.003 Å
c	20.453 ± 0.004 Å
α	90°
β	91.45 ± 0.009°
γ	90°
Cell volume	5989 ± 2 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1019
Residual factor for significantly intense reflections	0.0749
Weighted residual factors for significantly intense reflections	0.17
Weighted residual factors for all reflections included in the refinement	0.1906
Goodness-of-fit parameter for all reflections included in the refinement	1.082
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
287939 (current)	2023-12-01	cif/ Corrected several different data names in multiple entries.	7709244.cif
271927	2022-01-07	cif/ Adding structures of 7709241, 7709242, 7709243, 7709244 via cif-deposit CGI script.	7709244.cif