Crystallography Open Database

Information card for entry 7036491

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Coordinates	7036491.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C38 H38 Cl2 N4 O12 Zn3
Calculated formula	C38 H38 Cl2 N4 O12 Zn3
Title of publication	Combination effect of ionic liquid components on the structure and properties in 1,4-benzenedicarboxylate based zinc metal-organic frameworks.
Authors of publication	Zhang, Zong-Hui; Liu, Bing; Xu, Ling; Jiao, Huan
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2015
Journal volume	44
Journal issue	41
Pages of publication	17980 - 17989
a	12.7659 ± 0.0006 Å
b	9.579 ± 0.0004 Å
c	18.052 ± 0.0008 Å
α	90°
β	108.206 ± 0.005°
γ	90°
Cell volume	2096.97 ± 0.17 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0522
Residual factor for significantly intense reflections	0.0444
Weighted residual factors for significantly intense reflections	0.1282
Weighted residual factors for all reflections included in the refinement	0.1373
Goodness-of-fit parameter for all reflections included in the refinement	1.085
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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