Crystallography Open Database

Information card for entry 7111976

7111975 << 7111976 >> 7111977

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Coordinates	7111976.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C45 H28 Mn N5
Calculated formula	C45 H28 Mn N5
Title of publication	A cyano-bridged single-chain magnet featuring alternate high- and low-spin manganese(III) porphyrins
Authors of publication	Xi Chen; Shu-Qi Wu; Ai-Li Cui; Hui-Zhong Kou
Journal of publication	Chem.Commun.
Year of publication	2014
Journal volume	50
Pages of publication	2120
a	25.762 ± 0.004 Å
b	25.762 ± 0.004 Å
c	5.3833 ± 0.0011 Å
α	90°
β	90°
γ	90°
Cell volume	3572.8 ± 1.1 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	88
Hermann-Mauguin space group symbol	I 41/a
Hall space group symbol	-I 4ad
Residual factor for all reflections	0.0634
Residual factor for significantly intense reflections	0.0451
Weighted residual factors for significantly intense reflections	0.0958
Weighted residual factors for all reflections included in the refinement	0.1082
Goodness-of-fit parameter for all reflections included in the refinement	1.074
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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