Crystallography Open Database

Information card for entry 7111378

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Coordinates	7111378.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C216 H348 Mn12 N48 O60
Calculated formula	C216.036 H186 Mn12 N48 O60.012
Title of publication	Novel 36-membered dodecanuclear manganese metalladiazamacrocycle
Authors of publication	John, Rohith P.; Lee, Kyungjae; Lah, Myoung Soo
Journal of publication	Chemical Communications
Year of publication	2004
Journal issue	23
Pages of publication	2660 - 2661
a	23.7142 ± 0.0016 Å
b	23.7142 ± 0.0016 Å
c	38.246 ± 0.005 Å
α	90°
β	90°
γ	120°
Cell volume	18627 ± 3 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	148
Hermann-Mauguin space group symbol	R -3 :H
Hall space group symbol	-R 3
Residual factor for all reflections	0.1229
Residual factor for significantly intense reflections	0.0591
Weighted residual factors for significantly intense reflections	0.149
Weighted residual factors for all reflections included in the refinement	0.1744
Goodness-of-fit parameter for all reflections included in the refinement	0.936
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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