Crystallography Open Database

Information card for entry 1536877

Preview

Coordinates	1536877.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	5
Formula	C32 H46 N2 O4 Zn
Calculated formula	C32 H46 N2 O4 Zn
SMILES	[Zn]12(Oc3c(O1)c(cc(c3)C(C)(C)C)C(C)(C)C)(Oc1c(O2)c(cc(c1)C(C)(C)C)C(C)(C)C)[n]1cn(cc1)C
Title of publication	Redox-promoted associative assembly of metal‒organic materials
Authors of publication	Glavinović, Martin; Qi, Feng; Katsenis, Athanassios D.; Friščić, Tomislav; Lumb, Jean-Philip
Journal of publication	Chem. Sci.
Year of publication	2016
Journal volume	7
Journal issue	1
Pages of publication	707
a	12.2437 ± 0.0008 Å
b	18.3841 ± 0.0011 Å
c	30.3846 ± 0.0019 Å
α	90°
β	90°
γ	90°
Cell volume	6839.3 ± 0.7 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.1263
Residual factor for significantly intense reflections	0.0486
Weighted residual factors for significantly intense reflections	0.0931
Weighted residual factors for all reflections included in the refinement	0.1202
Goodness-of-fit parameter for all reflections included in the refinement	0.992
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
175918 (current)	2016-02-04	cif/ Updating files of 1536875, 1536876, 1536877, 1536878, 1536879, 1536880, 1536881, 1536882 Original log message: Adding full bibliography for 1536875--1536882.cif.	1536877.cif
164766	2015-10-10	cif/ Adding structures of 1536875, 1536876, 1536877, 1536878, 1536879, 1536880, 1536881, 1536882 via cif-deposit CGI script.	1536877.cif