Crystallography Open Database

Information card for entry 7247440

Preview

Coordinates	7247440.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C33 H25 Fe N O2
Calculated formula	C33 H25 Fe N O2
SMILES	[Fe]12345678([cH]9[cH]4[cH]3[cH]2[cH]19)[c]1([cH]8[cH]7[cH]6[cH]51)c1ccc(cc1)c1ccc2nc(cc(c2c1)C(=O)OC)c1ccccc1
Title of publication	Efficient ternary WORM memory devices from quinoline-based D–A systems by varying the redox behavior of ferrocene
Authors of publication	Angela, Varghese Maria; Harshini, Deivendran; Imran, Predhanekar Mohamed; Bhuvanesh, Nattamai. S. P.; Nagarajan, Samuthira
Journal of publication	RSC Advances
Year of publication	2023
Journal volume	13
Journal issue	41
Pages of publication	28416 - 28425
a	16.5928 ± 0.0005 Å
b	7.2752 ± 0.0002 Å
c	39.3538 ± 0.0012 Å
α	90°
β	90°
γ	90°
Cell volume	4750.6 ± 0.2 Å³
Cell temperature	110 K
Ambient diffraction temperature	110 K
Number of distinct elements	5
Space group number	60
Hermann-Mauguin space group symbol	P b c n
Hall space group symbol	-P 2n 2ab
Residual factor for all reflections	0.0516
Residual factor for significantly intense reflections	0.0458
Weighted residual factors for significantly intense reflections	0.11
Weighted residual factors for all reflections included in the refinement	0.1143
Goodness-of-fit parameter for all reflections included in the refinement	1.066
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
286551 (current)	2023-09-27	cif/ Adding structures of 7247440 via cif-deposit CGI script.	7247440.cif