Crystallography Open Database

Information card for entry 7240233

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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	8.0387 ± 0.0016 Å
b	8.3211 ± 0.0016 Å
c	19.109 ± 0.004 Å
α	90°
β	91.225 ± 0.005°
γ	90°
Cell volume	1277.9 ± 0.4 Å³
Cell temperature	349.98 K
Ambient diffraction temperature	349.98 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	0.1262
Residual factor for significantly intense reflections	0.0535
Weighted residual factors for significantly intense reflections	0.1327
Weighted residual factors for all reflections included in the refinement	0.1611
Goodness-of-fit parameter for all reflections included in the refinement	1.051
Diffraction radiation wavelength	0.56086 Å
Diffraction radiation type	AgKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
301870 (current)	2025-08-23	Add cross-references to PubChem compounds in COD range 7/24/ Each referenced PubChem compound corresponds to the full crystal structure.	7240233.cif
249894	2020-04-01	cif/ Adding structures of 7240232, 7240233, 7240234, 7240235 via cif-deposit CGI script.	7240233.cif