Crystallography Open Database

Information card for entry 4330132

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Coordinates	4330132.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C69 H46.5 Cl4 Mn N4 O0.75
Calculated formula	C69 H44 Cl4 Mn N4 O0.75
Title of publication	MnIII(tetra-biphenyl-porphyrin)-TCNE Single-Chain Magnet via Suppression of the Interchain Interactions
Authors of publication	Ryuta Ishikawa; Keiichi Katoh; Brian K. Breedlove; Masahiro Yamashita
Journal of publication	Inorganic Chemistry
Year of publication	2012
Journal volume	51
Pages of publication	9123 - 9131
a	17.059 ± 0.006 Å
b	18.361 ± 0.006 Å
c	17.555 ± 0.006 Å
α	90°
β	92.198 ± 0.004°
γ	90°
Cell volume	5495 ± 3 Å³
Cell temperature	93 ± 1 K
Ambient diffraction temperature	93 ± 1 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for significantly intense reflections	0.0885
Weighted residual factors for all reflections included in the refinement	0.2711
Goodness-of-fit parameter for all reflections included in the refinement	1.002
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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