Crystallography Open Database

Information card for entry 1551832

Preview

Coordinates	1551832.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C85.82 H25.82 B12 Cl5.46 F60 O12.99
Calculated formula	C85.82 H25.82 B12 Cl5.46 F60 O12.994
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	14.7965 ± 0.0004 Å
b	14.7965 ± 0.0004 Å
c	38.3211 ± 0.001 Å
α	90°
β	90°
γ	120°
Cell volume	7265.9 ± 0.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	148
Hermann-Mauguin space group symbol	R -3 :H
Hall space group symbol	-R 3
Residual factor for all reflections	0.0311
Residual factor for significantly intense reflections	0.0304
Weighted residual factors for significantly intense reflections	0.0806
Weighted residual factors for all reflections included in the refinement	0.0811
Goodness-of-fit parameter for all reflections included in the refinement	1.094
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
216453 (current)	2019-06-21	cif/ Adding structures of 1551832 via cif-deposit CGI script.	1551832.cif