Crystallography Open Database

Information card for entry 7062740

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Coordinates	7062740.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C13 H19 Br Mn N5 O3
Calculated formula	C13 H19 Br Mn N5 O3
Title of publication	Synthesis, structures, and properties of manganese(i) complexes featuring tridentate amidine-toting protic amine ligands
Authors of publication	Watari, Ryo; Kayaki, Yoshihito
Journal of publication	New Journal of Chemistry
Year of publication	2023
Journal volume	47
Journal issue	40
Pages of publication	18610 - 18617
a	10.695 ± 0.002 Å
b	16.189 ± 0.003 Å
c	9.9943 ± 0.0017 Å
α	90°
β	93.985 ± 0.003°
γ	90°
Cell volume	1726.2 ± 0.5 Å³
Cell temperature	93 K
Ambient diffraction temperature	93 K
Number of distinct elements	6
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	0.0485
Residual factor for significantly intense reflections	0.0379
Weighted residual factors for significantly intense reflections	0.0927
Weighted residual factors for all reflections included in the refinement	0.0949
Goodness-of-fit parameter for all reflections included in the refinement	0.941
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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