Crystallography Open Database

Information card for entry 7718337

Preview

Coordinates	7718337.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H40 Br0.7 Mn N4.3 O4.9
Calculated formula	C30 H40 Br0.7 Mn N4.3 O4.9
Title of publication	Modulation of the spin crossover behaviour in four manganese(III) complexes through cation-anion interactions.
Authors of publication	Malik, Suvamoy; Brandão, Paula; Benmansour, Samia; Gómez-García, Carlos J; Saha, Amrita
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2025
Journal volume	54
Journal issue	16
Pages of publication	6645 - 6652
a	8.3658 ± 0.0004 Å
b	20.526 ± 0.0009 Å
c	17.8682 ± 0.0008 Å
α	90°
β	90°
γ	90°
Cell volume	3068.3 ± 0.2 Å³
Cell temperature	398.15 K
Ambient diffraction temperature	398.15 K
Number of distinct elements	6
Space group number	56
Hermann-Mauguin space group symbol	P c c n
Hall space group symbol	-P 2ab 2ac
Residual factor for all reflections	0.1721
Residual factor for significantly intense reflections	0.1025
Weighted residual factors for significantly intense reflections	0.1639
Weighted residual factors for all reflections included in the refinement	0.1853
Goodness-of-fit parameter for all reflections included in the refinement	1.219
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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