Crystallography Open Database

Information card for entry 7709266

Preview

Coordinates	7709266.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C62 H54 Cl4 Fe2 N10 O19
Calculated formula	C62 H54 Cl4 Fe2 N10 O19
Title of publication	Hydrogen-atom and oxygen-atom transfer reactivities of iron(iv)-oxo complexes of quinoline-substituted pentadentate ligands
Authors of publication	Munshi, Sandip; Sinha, Arup; Yiga, Solomon; Banerjee, Sridhar; Singh, Reena; Hossain, Md. Kamal; Haukka, Matti; Valiati, Andrei Felipe; Huelsmann, Ricardo Dagnoni; Martendal, Edmar; Peralta, Rosely; Xavier, Fernando; Wendt, Ola F.; Paine, Tapan K.; Nordlander, Ebbe
Journal of publication	Dalton Transactions
Year of publication	2022
a	27.777 ± 0.002 Å
b	10.3493 ± 0.0005 Å
c	28.717 ± 0.003 Å
α	90°
β	117.92 ± 0.012°
γ	90°
Cell volume	7294.4 ± 1.3 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	6
Space group number	13
Hermann-Mauguin space group symbol	P 1 2/c 1
Hall space group symbol	-P 2yc
Residual factor for all reflections	0.2001
Residual factor for significantly intense reflections	0.0919
Weighted residual factors for significantly intense reflections	0.2302
Weighted residual factors for all reflections included in the refinement	0.3029
Goodness-of-fit parameter for all reflections included in the refinement	0.993
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
271948 (current)	2022-01-08	cif/ Adding structures of 7709261, 7709262, 7709263, 7709264, 7709265, 7709266 via cif-deposit CGI script.	7709266.cif