Crystallography Open Database

Information card for entry 7030533

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Coordinates	7030533.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C38 H33 Cl Fe Mn N8 O6
Calculated formula	C38 H30 Cl Fe Mn N8 O5.5
Title of publication	Supramolecular metallomacrocycles based on trans-dicyanoferrite(III) building blocks: synthesis, crystal structure and magnetic properties
Authors of publication	Ni, Zhong-Hai; Tao, Jun; Wernsdorfer, Wolfgang; Cui, Ai-Li; Kou, Hui-Zhong
Journal of publication	Dalton Transactions
Year of publication	2009
Journal issue	15
Pages of publication	2788 - 2794
a	23.1615 ± 0.0001 Å
b	23.1615 ± 0.0001 Å
c	15.1805 ± 0.0001 Å
α	90°
β	90°
γ	90°
Cell volume	8143.66 ± 0.07 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	7
Space group number	114
Hermann-Mauguin space group symbol	P -4 21 c
Hall space group symbol	P -4 2n
Residual factor for all reflections	0.0969
Residual factor for significantly intense reflections	0.0629
Weighted residual factors for significantly intense reflections	0.1594
Weighted residual factors for all reflections included in the refinement	0.1777
Goodness-of-fit parameter for all reflections included in the refinement	1.038
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Duplicate of	7000977
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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