Crystallography Open Database

Information card for entry 7707013

Preview

Coordinates	7707013.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H26 B F6 Mn N4 O2
Calculated formula	C22 H26 B F6 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	9.7586 ± 0.0015 Å
b	17.613 ± 0.002 Å
c	14.82 ± 0.002 Å
α	90°
β	106.582 ± 0.003°
γ	90°
Cell volume	2441.3 ± 0.6 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0476
Residual factor for significantly intense reflections	0.037
Weighted residual factors for significantly intense reflections	0.0977
Weighted residual factors for all reflections included in the refinement	0.1153
Goodness-of-fit parameter for all reflections included in the refinement	1.143
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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