Crystallography Open Database

Information card for entry 7135956

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Coordinates	7135956.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C100.8 H91.2 B F30 N6 Ru
Calculated formula	C78 H38 B F30 N6 Ru
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	44.26 ± 0.03 Å
b	13.012 ± 0.004 Å
c	33.153 ± 0.011 Å
α	90°
β	118.05 ± 0.03°
γ	90°
Cell volume	16850 ± 15 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.1463
Residual factor for significantly intense reflections	0.1331
Weighted residual factors for significantly intense reflections	0.2965
Weighted residual factors for all reflections included in the refinement	0.3046
Goodness-of-fit parameter for all reflections included in the refinement	1.148
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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