Crystallography Open Database

Information card for entry 7713527

Preview

Coordinates	7713527.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H26 Mn N6 O10 Re
Calculated formula	C22 H26 Mn N6 O10 Re
Title of publication	Spin-State Switching: Chemical Modulation and the Impact of Intermolecular Interactions in Manganese(III) Complexes
Authors of publication	Bagchi, Sukanya; Kamilya, Sujit; Mehta, Sakshi; Mandal, Subhankar; Bandyopadhyay, Arka; Narayan, Awadhesh; Ghosh, Subrata; Mondal, Abhishake
Journal of publication	Dalton Transactions
Year of publication	2023
a	14.4389 ± 0.0004 Å
b	9.5636 ± 0.0002 Å
c	19.3303 ± 0.0005 Å
α	90°
β	93.386 ± 0.001°
γ	90°
Cell volume	2664.62 ± 0.12 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 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	0.0576
Residual factor for significantly intense reflections	0.0431
Weighted residual factors for significantly intense reflections	0.0948
Weighted residual factors for all reflections included in the refinement	0.1018
Goodness-of-fit parameter for all reflections included in the refinement	1.035
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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