Crystallography Open Database

Information card for entry 7109513

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Coordinates	7109513.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C56 H42 Cl2 N10 O18 Zn
Calculated formula	C56 H42 Cl2 N10 O18 Zn
Title of publication	Anion-directed assembly of a non-interpenetrated square-grid metal-organic framework with nanoscale porosity
Authors of publication	Atanu Mitra; Christian T. Hubley; Dillip K. Panda; Ronald J. Clark; Sourav Saha
Journal of publication	Chem.Commun.
Year of publication	2013
Journal volume	49
Pages of publication	6629
a	18.3527 ± 0.0011 Å
b	26.9955 ± 0.0016 Å
c	17.5813 ± 0.0011 Å
α	90°
β	106.482 ± 0.001°
γ	90°
Cell volume	8352.6 ± 0.9 Å³
Cell temperature	103 ± 2 K
Ambient diffraction temperature	103 ± 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	0.074
Residual factor for significantly intense reflections	0.0611
Weighted residual factors for significantly intense reflections	0.1744
Weighted residual factors for all reflections included in the refinement	0.1818
Goodness-of-fit parameter for all reflections included in the refinement	1.094
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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