Crystallography Open Database

Information card for entry 7205098

7205097 << 7205098 >> 7205099

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Coordinates	7205098.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H43.5 N O13.25 Zn3
Calculated formula	C34 H43.5 N O13.25 Zn3
Title of publication	Molecular tectonics of metal‒organic frameworks based on ligand-modulated polynuclear zinc SBUs and aromatic multicarboxylic acids
Authors of publication	Shao, Kui-Zhan; Zhao, Ya-Hui; Lan, Ya-Qian; Wang, Xin-Long; Su, Zhong-Min; Wang, Rong-Shun
Journal of publication	CrystEngComm
Year of publication	2011
Journal volume	13
Journal issue	3
Pages of publication	889
a	16.379 ± 0.0005 Å
b	16.361 ± 0.0005 Å
c	28.999 ± 0.0009 Å
α	90°
β	90°
γ	90°
Cell volume	7771.1 ± 0.4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0713
Residual factor for significantly intense reflections	0.0329
Weighted residual factors for significantly intense reflections	0.0705
Weighted residual factors for all reflections included in the refinement	0.0748
Goodness-of-fit parameter for all reflections included in the refinement	0.893
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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