Crystallography Open Database

Information card for entry 4315880

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Coordinates	4315880.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H16 Mn N5 O4
Calculated formula	C18 H16 Mn N5 O4
Title of publication	Synthesis, Structures, and Magnetism of Three 1D MnIII Chains with Oxazoline-Based Ligands
Authors of publication	Yan Zhang; Xiu-Teng Wang; Xiao-Man Zhang; Tian-Fu Liu; Wen-Guo Xu; Song Gao
Journal of publication	Inorganic Chemistry
Year of publication	2010
Journal volume	49
Pages of publication	5868 - 5875
a	6.336 ± 0.003 Å
b	6.646 ± 0.003 Å
c	11.911 ± 0.006 Å
α	80.023 ± 0.007°
β	82.159 ± 0.007°
γ	62.717 ± 0.006°
Cell volume	438.1 ± 0.4 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0315
Residual factor for significantly intense reflections	0.0301
Weighted residual factors for significantly intense reflections	0.0828
Weighted residual factors for all reflections included in the refinement	0.084
Goodness-of-fit parameter for all reflections included in the refinement	1.089
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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