Crystallography Open Database

Information card for entry 1551833

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Coordinates	1551833.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C156 H72 B12 F60 O12
Calculated formula	C156 H72 B12 F60 O12
Title of publication	Atomically precise organomimetic cluster nanomolecules assembled via perfluoroaryl-thiol SNAr chemistry
Authors of publication	Elaine A. Qian; Alex I. Wixtrom; Jonathan C. Axtell; Azin Saebi; Dahee Jung; Pavel Rehak; Yanxiao Han; Elamar Hakim Moully; Daniel Mosallaei; Sylvia Chow; Marco S. Messina; Jing Yang Wang; A. Timothy Royappa; Arnold L. Rheingold; Heather D. Maynard; Petr Kral; Alexander M. Spokoyny
Journal of publication	Nature Chemistry
Year of publication	2017
Journal volume	9
Pages of publication	333 - 340
a	19.211 ± 0.003 Å
b	19.674 ± 0.003 Å
c	22.866 ± 0.004 Å
α	97.606 ± 0.005°
β	114.089 ± 0.005°
γ	109.756 ± 0.005°
Cell volume	7048 ± 2 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1771
Residual factor for significantly intense reflections	0.068
Weighted residual factors for significantly intense reflections	0.1509
Weighted residual factors for all reflections included in the refinement	0.203
Goodness-of-fit parameter for all reflections included in the refinement	1.008
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
216454 (current)	2019-06-21	cif/ Adding structures of 1551833 via cif-deposit CGI script.	1551833.cif