Crystallography Open Database

Information card for entry 7110082

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Coordinates	7110082.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C97 H67 N6 O13 Zn3
Calculated formula	C97 H67 N6 O13 Zn3
Title of publication	Tuning a layer to a pillared-layer metal-organic framework for adsorption and separation of light hydrocarbons
Authors of publication	Yan-Ping He; Yan-Xi Tan; Jian Zhang
Journal of publication	Chem.Commun.
Year of publication	2013
Journal volume	49
Pages of publication	11323
a	21.9124 ± 0.0002 Å
b	36.701 ± 0.0003 Å
c	38.7102 ± 0.0004 Å
α	90°
β	100.599 ± 0.001°
γ	90°
Cell volume	30599.9 ± 0.5 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.091
Residual factor for significantly intense reflections	0.0835
Weighted residual factors for significantly intense reflections	0.2478
Weighted residual factors for all reflections included in the refinement	0.2567
Goodness-of-fit parameter for all reflections included in the refinement	1.102
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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