Crystallography Open Database

Information card for entry 7240234

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Coordinates	7240234.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H32 Cl Mn N4 O4
Calculated formula	C24 H32 Cl Mn N4 O4
Title of publication	Structural Studies of Manganese(III) Complex with Spin-Crossover and Thermochromic Properties
Authors of publication	Villaman, David; McMonagle, Charles J.; Probert, Michael; Peña, Octavio; Moreno, Yanko; Fuentealba, Mauricio
Journal of publication	CrystEngComm
Year of publication	2020
a	7.8657 ± 0.0004 Å
b	8.3573 ± 0.0005 Å
c	19.1322 ± 0.0011 Å
α	90°
β	92.729 ± 0.002°
γ	90°
Cell volume	1256.25 ± 0.12 Å³
Cell temperature	289.99 K
Ambient diffraction temperature	289.99 K
Number of distinct elements	6
Space group number	13
Hermann-Mauguin space group symbol	P 1 2/c 1
Hall space group symbol	-P 2yc
Residual factor for all reflections	0.1082
Residual factor for significantly intense reflections	0.0426
Weighted residual factors for significantly intense reflections	0.1148
Weighted residual factors for all reflections included in the refinement	0.1458
Goodness-of-fit parameter for all reflections included in the refinement	1.102
Diffraction radiation wavelength	0.56086 Å
Diffraction radiation type	AgKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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