Crystallography Open Database

Information card for entry 1552072

1552071 << 1552072 >> 1552073

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Coordinates	1552072.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C35.25 H37.25 In N2.75 O12.25
Calculated formula	C30 H20 In N O8
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	36.5251 ± 0.0012 Å
b	9.8281 ± 0.0003 Å
c	10.1059 ± 0.0004 Å
α	90°
β	105.682 ± 0.004°
γ	90°
Cell volume	3492.7 ± 0.2 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 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	0.0828
Residual factor for significantly intense reflections	0.0783
Weighted residual factors for significantly intense reflections	0.202
Weighted residual factors for all reflections included in the refinement	0.208
Goodness-of-fit parameter for all reflections included in the refinement	1.07
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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