Crystallography Open Database

Information card for entry 7035511

Preview

Coordinates	7035511.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C307.5 H516.1 Cl8 N118.5 O63.8 Zn10
Calculated formula	C132 H96 Cl6.24 N60 O5.28 Zn10
Title of publication	CFA-7: an interpenetrated metal-organic framework of the MFU-4 family.
Authors of publication	Schmieder, Phillip; Grzywa, Maciej; Denysenko, Dmytro; Hambach, Manuel; Volkmer, Dirk
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2015
Journal volume	44
Journal issue	29
Pages of publication	13060 - 13070
a	28.764 ± 0.004 Å
b	28.764 ± 0.004 Å
c	69.369 ± 0.009 Å
α	90°
β	90°
γ	120°
Cell volume	49704 ± 12 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	166
Hermann-Mauguin space group symbol	R -3 m :H
Hall space group symbol	-R 3 2"
Residual factor for all reflections	0.2354
Residual factor for significantly intense reflections	0.1299
Weighted residual factors for significantly intense reflections	0.3042
Weighted residual factors for all reflections included in the refinement	0.3676
Goodness-of-fit parameter for all reflections included in the refinement	1.129
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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