Crystallography Open Database

Information card for entry 7228689

Preview

Coordinates	7228689.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C44.03 H34.79 F1.99 I6 N13.99 O0.68 Zn3
Calculated formula	C44.031 H34.788 F1.989 I6 N13.989 O0.678 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	35.2912 ± 0.0017 Å
b	14.8832 ± 0.0007 Å
c	30.9415 ± 0.0015 Å
α	90°
β	101.827 ± 0.001°
γ	90°
Cell volume	15906.9 ± 1.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 K
Number of distinct elements	7
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	0.0747
Residual factor for significantly intense reflections	0.0576
Weighted residual factors for significantly intense reflections	0.2032
Weighted residual factors for all reflections included in the refinement	0.2271
Goodness-of-fit parameter for all reflections included in the refinement	1.158
Diffraction radiation wavelength	0.41328 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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