Crystallography Open Database

Information card for entry 4348212

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Coordinates	4348212.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C33 H34 Mn2 N4 O11
Calculated formula	C33 H15 Mn2 N4 O11
Title of publication	Four-connected metal‒organic frameworks constructed by tetracarboxylate acid-based ligands
Authors of publication	Sun, Libo; Pan, Qinhe; Liang, Zhiqiang; Yu, Jihong
Journal of publication	Inorganic Chemistry Frontiers
Year of publication	2014
Journal volume	1
Journal issue	6
Pages of publication	478
a	38.9881 ± 0.001 Å
b	38.9881 ± 0.001 Å
c	22.2962 ± 0.0011 Å
α	90°
β	90°
γ	120°
Cell volume	29351.2 ± 1.8 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	161
Hermann-Mauguin space group symbol	R 3 c :H
Hall space group symbol	R 3 -2"c
Residual factor for all reflections	0.0967
Residual factor for significantly intense reflections	0.0445
Weighted residual factors for significantly intense reflections	0.068
Weighted residual factors for all reflections included in the refinement	0.073
Goodness-of-fit parameter for all reflections included in the refinement	1.01
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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