Crystallography Open Database

Information card for entry 7228876

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Coordinates	7228876.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C55 H45 Mn2 N6 O15
Calculated formula	C55 H45 Mn2 N6 O15
Title of publication	Combination effect of ligand and ionic liquid components on the structure and property in manganese metal‒organic frameworks
Authors of publication	Wei, Zhen; Zhang, Zong-Hui; Wang, Meng Meng; xu, ling; Liu, Bing; Jiao, Huan
Journal of publication	CrystEngComm
Year of publication	2017
a	18.1886 ± 0.001 Å
b	21.2528 ± 0.0009 Å
c	16.2865 ± 0.0007 Å
α	90°
β	118.757 ± 0.005°
γ	90°
Cell volume	5519.2 ± 0.5 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
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	0.0985
Residual factor for significantly intense reflections	0.0783
Weighted residual factors for significantly intense reflections	0.2078
Weighted residual factors for all reflections included in the refinement	0.2294
Goodness-of-fit parameter for all reflections included in the refinement	1.027
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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