Crystallography Open Database

Information card for entry 7228688

Preview

Coordinates	7228688.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C88.57 H64.57 I12 N24 O6.21 Zn6
Calculated formula	C88.568 H64.568 I12 N24 O6.213 Zn6
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	14.9223 ± 0.0008 Å
b	18.9078 ± 0.0011 Å
c	32.591 ± 0.0018 Å
α	102.728 ± 0.001°
β	91.7744 ± 0.001°
γ	110.796 ± 0.0009°
Cell volume	8324.8 ± 0.8 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0842
Residual factor for significantly intense reflections	0.0718
Weighted residual factors for significantly intense reflections	0.2339
Weighted residual factors for all reflections included in the refinement	0.2452
Goodness-of-fit parameter for all reflections included in the refinement	1.06
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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