Crystallography Open Database

Information card for entry 7707006

Preview

Coordinates	7707006.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H26 F2 I Mn N4 O2
Calculated formula	C22 H26 F2 I 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	8.5204 ± 0.0011 Å
b	16.1865 ± 0.0019 Å
c	17.696 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	2440.6 ± 0.5 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 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	0.069
Residual factor for significantly intense reflections	0.0414
Weighted residual factors for significantly intense reflections	0.1023
Weighted residual factors for all reflections included in the refinement	0.1222
Goodness-of-fit parameter for all reflections included in the refinement	1.045
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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