Crystallography Open Database

Information card for entry 7719450

7719449 << 7719450 >> 7719451

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Coordinates	7719450.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C48 H39 Fe2 N O6 P2 S2
Calculated formula	C48 H39 Fe2 N O6 P2 S2
Title of publication	Use of 2,3-bis(diphenylphosphino)-N-phenylmaleimide ligand as a redox [Fe4S4] cubane surrogate in di-iron complexes related to [FeFe]-hydrogenases : influence of the dithiolate bridge on the redox behaviour
Authors of publication	Mele, Andrea; Arrigoni, Federica; Elleouet, Catherine; Petillon, Francois Y.; Schollhammer, Philippe; Zampella, Giuseppe
Journal of publication	Dalton Transactions
Year of publication	2025
a	10.8576 ± 0.0003 Å
b	11.1524 ± 0.0003 Å
c	19.2488 ± 0.0005 Å
α	89.207 ± 0.002°
β	79.956 ± 0.002°
γ	72.988 ± 0.002°
Cell volume	2192.95 ± 0.11 Å³
Cell temperature	170 ± 2 K
Ambient diffraction temperature	170 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0786
Residual factor for significantly intense reflections	0.055
Weighted residual factors for significantly intense reflections	0.136
Weighted residual factors for all reflections included in the refinement	0.1538
Goodness-of-fit parameter for all reflections included in the refinement	1.051
Diffraction radiation probe	x-ray
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
302117 (current)	2025-09-12	cif/ Adding structures of 7719450, 7719451 via cif-deposit CGI script.	7719450.cif