Crystallography Open Database

Information card for entry 7135955

Preview

Coordinates	7135955.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H36.66 F4 N6 O1.33 Ru0.67
Calculated formula	C30.6667 H17.3333 F4 N4 Ru0.666667
Title of publication	Highly Covalent, Pseudo-Octahedral Ru(II) Bis(amides): Panchromatic Absorption and Low-Energy Photocatalysis
Authors of publication	Mall, Utkarsh; Ortiz, Robert J.; Lozada, Issiah B.M.; Williams, Gareth; Herbert, David E.
Journal of publication	Chemical Communications
Year of publication	2026
a	19.449 ± 0.006 Å
b	19.449 ± 0.006 Å
c	55.49 ± 0.02 Å
α	90°
β	90°
γ	90°
Cell volume	20990 ± 12 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 K
Number of distinct elements	6
Space group number	88
Hermann-Mauguin space group symbol	I 41/a :2
Hall space group symbol	-I 4ad
Residual factor for all reflections	0.1303
Residual factor for significantly intense reflections	0.1054
Weighted residual factors for significantly intense reflections	0.2444
Weighted residual factors for all reflections included in the refinement	0.2625
Goodness-of-fit parameter for all reflections included in the refinement	1.065
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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