Crystallography Open Database

Information card for entry 7239309

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Coordinates	7239309.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C42 H52 Cl4 Mn2 N8 O18
Calculated formula	C42 H52 Cl4 Mn2 N8 O18
Title of publication	Manganese(ii) complexes of tetradentate 4N ligands with diazepane backbones for catalytic olefin epoxidation: effect of nucleophilicity of peroxo complexes on reactivity
Authors of publication	Saravanan, Natarajan; Sankaralingam, Muniyandi; Palaniandavar, Mallayan
Journal of publication	RSC Adv.
Year of publication	2014
Journal volume	4
Journal issue	23
Pages of publication	12000
a	8.195 ± 0.0002 Å
b	9.6329 ± 0.0002 Å
c	17.085 ± 0.0005 Å
α	101.708 ± 0.001°
β	103.83 ± 0.002°
γ	94.223 ± 0.002°
Cell volume	1271.74 ± 0.06 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0789
Residual factor for significantly intense reflections	0.0635
Weighted residual factors for significantly intense reflections	0.2212
Weighted residual factors for all reflections included in the refinement	0.2454
Goodness-of-fit parameter for all reflections included in the refinement	1.008
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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