Crystallography Open Database

Information card for entry 7707012

Preview

Coordinates	7707012.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H26 Cl F2 Mn N4 O2
Calculated formula	C22 H26 Cl F2 Mn N4 O2
Title of publication	The dynamic interplay between intramolecular and intermolecular interactions in mononuclear manganese(III) SCO complexes.
Authors of publication	Qin, Chun-Yan; Zhao, Sheng-Ze; Wu, Hua-Yu; Li, Yong-Hua; Wang, Zi-Kun; Wang, Zheng; Wang, Shi
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2021
Journal volume	50
Journal issue	17
Pages of publication	5899 - 5910
a	7.665 ± 0.003 Å
b	16.221 ± 0.006 Å
c	17.762 ± 0.005 Å
α	90°
β	90°
γ	90°
Cell volume	2208.4 ± 1.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
Space group number	56
Hermann-Mauguin space group symbol	P c c n
Hall space group symbol	-P 2ab 2ac
Residual factor for all reflections	0.0459
Residual factor for significantly intense reflections	0.0333
Weighted residual factors for significantly intense reflections	0.0831
Weighted residual factors for all reflections included in the refinement	0.0902
Goodness-of-fit parameter for all reflections included in the refinement	1.052
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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