Crystallography Open Database

Information card for entry 7236548

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Coordinates	7236548.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C42 H86 Ca Cu6 N6 O32
Calculated formula	C40 H53.9997 Ca Cu6 N6 O28
Title of publication	Tuning the selectivity of light hydrocarbons in natural gas in a family of isoreticular MOFs
Authors of publication	Grancha, Thais; Mon, Marta; Ferrando-Soria, Jesús; Gascon, Jorge; Seoane, Beatriz; Ramos-Fernandez, Enrique V.; Armentano, Donatella; Pardo, Emilio
Journal of publication	Journal of Materials Chemistry A
Year of publication	2017
Journal volume	5
Journal issue	22
Pages of publication	11032
a	17.603 ± 0.006 Å
b	17.603 ± 0.006 Å
c	13.045 ± 0.004 Å
α	90°
β	90°
γ	120°
Cell volume	3501 ± 2 Å³
Cell temperature	90 ± 2 K
Ambient diffraction temperature	90 ± 2 K
Number of distinct elements	6
Space group number	173
Hermann-Mauguin space group symbol	P 63
Hall space group symbol	P 6c
Residual factor for all reflections	0.1175
Residual factor for significantly intense reflections	0.071
Weighted residual factors for significantly intense reflections	0.181
Weighted residual factors for all reflections included in the refinement	0.2043
Goodness-of-fit parameter for all reflections included in the refinement	0.959
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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