Crystallography Open Database

Information card for entry 7720881

7720880 << 7720881 >> 7720882

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Coordinates	7720881.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H30 N3 O3 Re
Calculated formula	C26 H30 N3 O3 Re
Title of publication	Synthesis of a Rhenium(VII) Trioxo Complex Supported by a Triphyrin Ligand: Oxygenation Chemistry and Deposition on Au(111)
Authors of publication	Nguyen, Manh Linh; Strunskus, Thomas; Nather, Christian; Krahmer, Jan; Tuczek, Felix
Journal of publication	Dalton Transactions
Year of publication	2026
a	21.2187 ± 0.0003 Å
b	11.70587 ± 0.00014 Å
c	24.6546 ± 0.0003 Å
α	90°
β	108.132 ± 0.0014°
γ	90°
Cell volume	5819.68 ± 0.14 Å³
Cell temperature	100 ± 0.1 K
Ambient diffraction temperature	100 ± 0.1 K
Number of distinct elements	5
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	0.0302
Residual factor for significantly intense reflections	0.029
Weighted residual factors for significantly intense reflections	0.0716
Weighted residual factors for all reflections included in the refinement	0.0728
Goodness-of-fit parameter for all reflections included in the refinement	1.065
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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