Crystallography Open Database

Information card for entry 4128091

Preview

Coordinates	4128091.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C177.45 H243.1 B66 N32.5 O11.35 Zn3
Calculated formula	C171.45 H232.9 B61.8 N32.5 O11.35 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	21.025 ± 0.004 Å
b	24.479 ± 0.005 Å
c	25.666 ± 0.005 Å
α	66.64 ± 0.03°
β	70.61 ± 0.03°
γ	71.93 ± 0.03°
Cell volume	11193 ± 5 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0993
Residual factor for significantly intense reflections	0.0861
Weighted residual factors for significantly intense reflections	0.2801
Weighted residual factors for all reflections included in the refinement	0.2922
Goodness-of-fit parameter for all reflections included in the refinement	1.082
Diffraction radiation wavelength	0.6889 Å
Diffraction radiation type	Synchrotron
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
221222 (current)	2019-11-03	cif/ Adding structures of 4128091 via cif-deposit CGI script.	4128091.cif