Crystallography Open Database

Information card for entry 2020464

2020463 << 2020464 >> 2020465

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Structure parameters

Chemical name	Poly[[(μ~2~-3,3'-dimethyl-4,4'-bipyridine-κ^2^<i>N</i>:<i>N</i>')bis(μ~4~-4,4'-oxydibenzoato-κ^4^<i>O</i>:<i>O</i>':<i>O</i>'':<i>O</i>''')dizinc] tetrahydrate]
Formula	C40 H36 N2 O14 Zn2
Calculated formula	C40 H27.128 N2 O10 Zn2
Title of publication	A hydrostable and twofold interpenetrating three-dimensional zinc‒organic framework with rob topology based on 4,4'-oxydibenzoate and 3,3'-dimethyl-4,4'-bipyridine ligands
Authors of publication	Liang, Feng-Lan; Ma, De-Yun; Qin, Liang
Journal of publication	Acta Crystallographica Section C
Year of publication	2016
Journal volume	72
Journal issue	5
Pages of publication	373 - 378
a	16.864 ± 0.004 Å
b	11.067 ± 0.002 Å
c	22.764 ± 0.004 Å
α	90°
β	90°
γ	90°
Cell volume	4248.5 ± 1.5 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	54
Hermann-Mauguin space group symbol	P c c a
Hall space group symbol	-P 2a 2ac
Residual factor for all reflections	0.051
Residual factor for significantly intense reflections	0.0449
Weighted residual factors for significantly intense reflections	0.1239
Weighted residual factors for all reflections included in the refinement	0.1281
Goodness-of-fit parameter for all reflections included in the refinement	1.059
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	Yes

Version history

Revision	Date	Message	Files
183639 (current)	2016-06-17	cif/ Updating files of 2020464 Original log message: Adding full bibliography for 2020464.cif.	2020464.cif 2020464.hkl
181940	2016-04-07	cif/ hkl/ Adding structures of 2020464 via cif-deposit CGI script.	2020464.cif 2020464.hkl