Crystallography Open Database

Information card for entry 7720958

7720957 << 7720958 >> 7720959

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Coordinates	7720958.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H28 Br Mn N2 O5
Calculated formula	C23 H28 Br Mn N2 O5
Title of publication	Steric tuning of OH-functionalised N,N-manganese(i) complexes for the transfer hydrogenation of carbonyl compounds
Authors of publication	Prettyman, Samuel J.; Alqahtani, Saad; Alhalafi, Mona H.; Singh, Kuldip; Solan, Gregory A.
Journal of publication	Dalton Transactions
Year of publication	2026
a	9.3579 ± 0.0002 Å
b	17.8308 ± 0.0004 Å
c	14.6057 ± 0.0003 Å
α	90°
β	91.351 ± 0.001°
γ	90°
Cell volume	2436.41 ± 0.09 Å³
Cell temperature	120 K
Ambient diffraction temperature	120 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0434
Residual factor for significantly intense reflections	0.0346
Weighted residual factors for significantly intense reflections	0.0873
Weighted residual factors for all reflections included in the refinement	0.0911
Goodness-of-fit parameter for all reflections included in the refinement	1.038
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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