Crystallography Open Database

Information card for entry 4115821

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Coordinates	4115821.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C59 H44 F24 Mn2 N4 O8
Calculated formula	C59 H32 F24 Mn2 N4 O8
Title of publication	A Novel, Tunable Manganese Coordination System Based on a Flexible "Spacer" Unit: Noncovalent Templation Effects
Authors of publication	Frank M. Tabellion; S. Russell Seidel; Atta M. Arif; Peter J. Stang
Journal of publication	Journal of the American Chemical Society
Year of publication	2001
Journal volume	123
Pages of publication	11982 - 11990
a	13.3971 ± 0.0018 Å
b	23.866 ± 0.004 Å
c	10.1985 ± 0.0016 Å
α	90°
β	95.702 ± 0.011°
γ	90°
Cell volume	3244.7 ± 0.9 Å³
Cell temperature	200 ± 1 K
Ambient diffraction temperature	200 ± 1 K
Number of distinct elements	6
Space group number	12
Hermann-Mauguin space group symbol	C 1 2/m 1
Hall space group symbol	-C 2y
Residual factor for all reflections	0.1274
Residual factor for significantly intense reflections	0.08
Weighted residual factors for significantly intense reflections	0.1953
Weighted residual factors for all reflections included in the refinement	0.224
Goodness-of-fit parameter for all reflections included in the refinement	1.046
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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