Crystallography Open Database

Information card for entry 4128093

Preview

Coordinates	4128093.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C168.5 H156.5 B5.5 F16.5 N31 O25.75 S5.5 Zn3
Calculated formula	C165.75 H156.5 B6 F9.75 N31 O19 S3.25 Zn3
Title of publication	Hydrogen-Bond-Assisted Symmetry Breaking in a Network of Chiral Metal-Organic Assemblies.
Authors of publication	Rizzuto, Felix J.; Pröhm, Patrick; Plajer, Alex J.; Greenfield, Jake L.; Nitschke, Jonathan R.
Journal of publication	Journal of the American Chemical Society
Year of publication	2019
Journal volume	141
Journal issue	4
Pages of publication	1707 - 1715
a	22.3184 ± 0.001 Å
b	24.7127 ± 0.001 Å
c	25.3074 ± 0.0011 Å
α	107.577 ± 0.002°
β	104.677 ± 0.002°
γ	111.113 ± 0.002°
Cell volume	11337.5 ± 0.9 Å³
Cell temperature	180 ± 2 K
Ambient diffraction temperature	180 ± 2 K
Number of distinct elements	8
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1249
Residual factor for significantly intense reflections	0.1055
Weighted residual factors for significantly intense reflections	0.2942
Weighted residual factors for all reflections included in the refinement	0.3115
Goodness-of-fit parameter for all reflections included in the refinement	1.033
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
221224 (current)	2019-11-03	cif/ Adding structures of 4128093 via cif-deposit CGI script.	4128093.cif