Crystallography Open Database

Information card for entry 7720880

7720879 << 7720880 >> 7720881

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Coordinates	7720880.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C29 H30 N3 O3 Re
Calculated formula	C29 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	9.19418 ± 0.00007 Å
b	10.1667 ± 0.00006 Å
c	13.81606 ± 0.00006 Å
α	92.0104 ± 0.0004°
β	96.2968 ± 0.0005°
γ	97.232 ± 0.0005°
Cell volume	1271.88 ± 0.014 Å³
Cell temperature	100 ± 0.1 K
Ambient diffraction temperature	100 ± 0.1 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0183
Residual factor for significantly intense reflections	0.0183
Weighted residual factors for significantly intense reflections	0.0499
Weighted residual factors for all reflections included in the refinement	0.0499
Goodness-of-fit parameter for all reflections included in the refinement	1.075
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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