Crystallography Open Database

Information card for entry 4133803

Preview

Coordinates	4133803.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	B12Au12
Formula	C396.2 H514 Au11.17 B12 Cl11.15 F58.26 N11.15 O12 P11.15 Sb9.71
Calculated formula	C396.2 H514 Au11.17 B12 Cl11.15 F58.26 N11.15 O12 P11.15 Sb9.71
Title of publication	An Organometallic Strategy for Assembling Atomically Precise Hybrid Nanomaterials.
Authors of publication	Stauber, Julia M.; Qian, Elaine Anne; Han, Yanxiao; Rheingold, Arnold L.; Král, Petr; Fujita, Daishi; Spokoyny, Alexander M.
Journal of publication	Journal of the American Chemical Society
Year of publication	2019
a	45.6445 ± 0.0004 Å
b	29.7686 ± 0.0003 Å
c	41.2098 ± 0.0006 Å
α	90°
β	93.5244 ± 0.0011°
γ	90°
Cell volume	55888.9 ± 1.1 Å³
Cell temperature	298.2 K
Ambient diffraction temperature	298.2 K
Number of distinct elements	10
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for all reflections	0.073
Residual factor for significantly intense reflections	0.0561
Weighted residual factors for significantly intense reflections	0.1561
Weighted residual factors for all reflections included in the refinement	0.1717
Goodness-of-fit parameter for all reflections included in the refinement	1.053
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.4934 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
245333 (current)	2019-12-19	cif/ Adding structures of 4133803 via cif-deposit CGI script.	4133803.cif