Crystallography Open Database

Information card for entry 7247951

Preview

Coordinates	7247951.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H26 Fe O4 Se2
Calculated formula	C28 H26 Fe O4 Se2
SMILES	[Se]([c]12[Fe]3456789([cH]1[cH]3[cH]4[cH]25)[c]1([Se]Cc2ccc(cc2)C(=O)OC)[cH]6[cH]7[cH]8[cH]91)Cc1ccc(cc1)C(=O)OC
Title of publication	Ferrocenylselenoether and its cuprous cluster modified TiO2 as visible-light photocatalyst for the synergistic transformation of N-cyclic organics and Cr(vi)
Authors of publication	Yang, Zhuo; Wang, Jinshan; Li, Aimin; Wang, Chao; Ji, Wei; Pires, Elísabet; Yang, Wenzhong; Jing, Su
Journal of publication	RSC Advances
Year of publication	2024
Journal volume	14
Journal issue	2
Pages of publication	1488 - 1500
a	12.387 ± 0.003 Å
b	6.2596 ± 0.0017 Å
c	33.747 ± 0.009 Å
α	90°
β	91.613 ± 0.003°
γ	90°
Cell volume	2615.6 ± 1.2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
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	0.1038
Residual factor for significantly intense reflections	0.0785
Weighted residual factors for significantly intense reflections	0.1908
Weighted residual factors for all reflections included in the refinement	0.1999
Goodness-of-fit parameter for all reflections included in the refinement	1.101
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
288672 (current)	2024-01-04	cif/ Adding structures of 7247951 via cif-deposit CGI script.	7247951.cif