Crystallography Open Database

Information card for entry 1552073

1552072 << 1552073 >> 1552074

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Coordinates	1552073.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H25.75 In Li0.75 O13.75
Calculated formula	C28 H14 In Li0.5 O9
Title of publication	Cation-induced kinetic trapping and enhanced hydrogen adsorption in a modulated anionic metal-organic framework
Authors of publication	Sihai Yang; Xiang Lin; Alexander J. Blake; Gavin S. Walker; Peter Hubberstey; Neil R. Champness; Martin Schroder
Journal of publication	Nature Chemistry
Year of publication	2009
Journal volume	1
Pages of publication	487 - 493
a	36.5845 ± 0.0012 Å
b	9.7589 ± 0.0003 Å
c	19.6525 ± 0.0006 Å
α	90°
β	103.558 ± 0.002°
γ	90°
Cell volume	6820.9 ± 0.4 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	5
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	0.111
Residual factor for significantly intense reflections	0.085
Weighted residual factors for significantly intense reflections	0.197
Weighted residual factors for all reflections included in the refinement	0.209
Goodness-of-fit parameter for all reflections included in the refinement	1.06
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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