Crystallography Open Database

Information card for entry 7228687

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Coordinates	7228687.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C64.56 H48.48 I6 N12 Zn3
Calculated formula	C64.574 H48.492 I6 N12 Zn3
Title of publication	The Crystalline Sponge Method: A Solvent-Based Strategy to Facilitate Noncovalent Ordered Trapping of Solid and Liquid Organic Compounds
Authors of publication	Ramadhar, Timothy R.; Zheng, Shao-Liang; Chen, Yu-Sheng; Clardy, Jon
Journal of publication	CrystEngComm
Year of publication	2017
a	34.9049 ± 0.0014 Å
b	14.9409 ± 0.0006 Å
c	34.5319 ± 0.0014 Å
α	90°
β	107.565 ± 0.0008°
γ	90°
Cell volume	17169.1 ± 1.2 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0586
Residual factor for significantly intense reflections	0.0524
Weighted residual factors for significantly intense reflections	0.1735
Weighted residual factors for all reflections included in the refinement	0.1811
Goodness-of-fit parameter for all reflections included in the refinement	1.029
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.41328 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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