Crystallography Open Database

Information card for entry 7719451

7719450 << 7719451 >> 7719452

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Coordinates	7719451.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C129 H112 Fe4 N4 O12 P4 S4
Calculated formula	C129 H112 Fe4 N4 O12 P4 S4
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	11.198 ± 0.0009 Å
b	11.2708 ± 0.0008 Å
c	24.0003 ± 0.0017 Å
α	100.05 ± 0.006°
β	98.719 ± 0.007°
γ	101.838 ± 0.007°
Cell volume	2863.5 ± 0.4 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	0.1879
Residual factor for significantly intense reflections	0.0905
Weighted residual factors for significantly intense reflections	0.1639
Weighted residual factors for all reflections included in the refinement	0.2132
Goodness-of-fit parameter for all reflections included in the refinement	0.982
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.	7719451.cif