Crystallography Open Database

Information card for entry 2312308

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Structure parameters

Common name	ZUPI-OOH
Chemical name	Di-μ-peroxido-bis[tricarbonyl(pyridine)technetium] <i>syn</i>-[Tc~2~(CH~3~O)~2~(NC~5~H~5~)~2~(CO)~6~]
Formula	C16 H12 N2 O10 Tc2
Calculated formula	C16 H12 N2 O10 Tc2
Title of publication	X-ray-determined structure of the technetium complex [Tc<sub>2</sub>(μ-CO)<sub>2</sub>(NC<sub>5</sub>H<sub>5</sub>)<sub>2</sub>(CO)<sub>6</sub>] revisited: [Tc<sub>2</sub>(μ-OMe)<sub>2</sub>(NC<sub>5</sub>H<sub>5</sub>)<sub>2</sub>(CO)<sub>6</sub>] as the correct formulation.
Authors of publication	Zuhayra, Maaz; Lützen, Arne; Ruiz, Miguel A.
Journal of publication	Acta crystallographica. Section C, Structural chemistry
Year of publication	2023
Journal volume	79
Journal issue	10
a	18.116 ± 0.016 Å
b	10.359 ± 0.008 Å
c	12.148 ± 0.01 Å
α	90°
β	90°
γ	90°
Cell volume	2280 ± 3 Å³
Cell temperature	200 K
Ambient diffraction temperature	200 K
Number of distinct elements	5
Space group number	33
Hermann-Mauguin space group symbol	P n a 21
Hall space group symbol	P 2c -2n
Residual factor for all reflections	0.0538
Residual factor for significantly intense reflections	0.0455
Weighted residual factors for significantly intense reflections	0.1155
Weighted residual factors for all reflections included in the refinement	0.1221
Goodness-of-fit parameter for all reflections included in the refinement	1.05
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

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