Crystallography Open Database

Information card for entry 7108950

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Coordinates	7108950.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C52 H54 Mg2 N2 O19 P2
Calculated formula	C52 H48 Mg2 N2 O19 P2
Title of publication	Reversible structural transformation and selective gas adsorption in a unique aqua-bridged Mn(II) metal-organic framework
Authors of publication	Euna Jeong; Woo Ram Lee; Dae Won Ryu; Yeonga Kim; Won Ju Phang; Eui Kwan Koh; Chang Seop Hong
Journal of publication	Chem.Commun.
Year of publication	2013
Journal volume	49
Pages of publication	2329
a	33.3495 ± 0.0012 Å
b	10.544 ± 0.0003 Å
c	15.0994 ± 0.0006 Å
α	90°
β	103.703 ± 0.002°
γ	90°
Cell volume	5158.4 ± 0.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.1033
Residual factor for significantly intense reflections	0.0686
Weighted residual factors for significantly intense reflections	0.1657
Weighted residual factors for all reflections included in the refinement	0.1869
Goodness-of-fit parameter for all reflections included in the refinement	1.053
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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