Crystallography Open Database

Information card for entry 7036498

Preview

Coordinates	7036498.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C38 H38 I2 N4 O12 Zn3
Calculated formula	C38 H38 I2 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	13.344 ± 0.0009 Å
b	9.4033 ± 0.0006 Å
c	18.5203 ± 0.0012 Å
α	90°
β	110.126 ± 0.007°
γ	90°
Cell volume	2182 ± 0.3 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	0.1595
Residual factor for significantly intense reflections	0.1043
Weighted residual factors for significantly intense reflections	0.2723
Weighted residual factors for all reflections included in the refinement	0.3202
Goodness-of-fit parameter for all reflections included in the refinement	1.181
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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