Crystallography Open Database

Information card for entry 7057599

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Coordinates	7057599.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H38 Mn N5 O6 S
Calculated formula	C27 H38 Mn N5 O6 S
Title of publication	Portraying the role of halo ligands and the auxiliary part of ligands of mononuclear manganese(iii)-Schiff base complexes in catalyzing phospho‒ester bond hydrolysis
Authors of publication	Chakraborty, Tonmoy; Dasgupta, Sanchari; Zangrando, Ennio; Das, Debasis
Journal of publication	New Journal of Chemistry
Year of publication	2018
Journal volume	42
Journal issue	18
Pages of publication	14933
a	13.9084 ± 0.0009 Å
b	17.6216 ± 0.0011 Å
c	12.8571 ± 0.0008 Å
α	90°
β	111.689 ± 0.001°
γ	90°
Cell volume	2928 ± 0.3 Å³
Cell temperature	299 ± 2 K
Ambient diffraction temperature	299 ± 2 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	0.0488
Residual factor for significantly intense reflections	0.0341
Weighted residual factors for significantly intense reflections	0.0795
Weighted residual factors for all reflections included in the refinement	0.0865
Goodness-of-fit parameter for all reflections included in the refinement	1.092
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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