Crystallography Open Database

Information card for entry 7063413

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Coordinates	7063413.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H30 Cl Mn N2 O11
Calculated formula	C22 H30 Cl Mn N2 O11
Title of publication	Exploring supramolecular architectures in Mn(iii) two-compartment o-vanhd Schiff base complexes: insights from apical aqua ligands and bond valence sum analysis
Authors of publication	Narayanaswamy, Srinivasan; Bhargavi, G.; Rajasekharan, M. V.
Journal of publication	New Journal of Chemistry
Year of publication	2024
Journal volume	48
Journal issue	34
Pages of publication	15215 - 15226
a	13.8746 ± 0.0013 Å
b	13.304 ± 0.0013 Å
c	15.4715 ± 0.0014 Å
α	90°
β	116.494 ± 0.001°
γ	90°
Cell volume	2555.9 ± 0.4 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	6
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0414
Residual factor for significantly intense reflections	0.0388
Weighted residual factors for significantly intense reflections	0.1028
Weighted residual factors for all reflections included in the refinement	0.1049
Goodness-of-fit parameter for all reflections included in the refinement	1.025
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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