Crystallography Open Database

Information card for entry 8107461

Preview

Coordinates	8107461.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H21 Cl2 Mn N5 O4
Calculated formula	C28 H21 Cl2 Mn N5 O4
SMILES	[Mn]12([N](=Cc3c(O1)c(Cl)cc(Cl)c3)c1cc(N(=O)=O)ccc1O2)([n]1ccccc1)([n]1ccccc1)[n]1ccccc1
Title of publication	The crystal structure of ((E)-2,4-dichloro-6-(((2-hydroxy-5-nitrophenyl)imino)methyl)phenolato-κ 3 N,O,O′)tris(pyridine-κN)manganese(II), C28H21Cl2MnN5O4
Authors of publication	Li, Ting; Xiao, Xiyuan; Tan, Yuxing; Fu, Weiwei
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2023
Journal volume	238
Journal issue	3
Pages of publication	433 - 435
a	8.9699 ± 0.0009 Å
b	9.1185 ± 0.0009 Å
c	17.6902 ± 0.0017 Å
α	103.776 ± 0.001°
β	92.407 ± 0.001°
γ	99.761 ± 0.001°
Cell volume	1379.8 ± 0.2 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0653
Residual factor for significantly intense reflections	0.0388
Weighted residual factors for significantly intense reflections	0.0837
Weighted residual factors for all reflections included in the refinement	0.092
Goodness-of-fit parameter for all reflections included in the refinement	1.045
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
285144 (current)	2023-07-11	cif/ Adding structures of 8107461 via cif-deposit CGI script.	8107461.cif