Crystallography Open Database

Information card for entry 1536876

Preview

Coordinates	1536876.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C38 H50 N2 O4 Zn
Calculated formula	C38 H50 N2 O4 Zn
SMILES	[Zn]12(Oc3c(O1)cc(cc3C(C)(C)C)C(C)(C)C)(Oc1c(O2)c(cc(c1)C(C)(C)C)C(C)(C)C)([n]1ccccc1)[n]1ccccc1
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	10.671 ± 0.005 Å
b	19.665 ± 0.009 Å
c	17.723 ± 0.008 Å
α	90°
β	97.137 ± 0.007°
γ	90°
Cell volume	3690 ± 3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.2969
Residual factor for significantly intense reflections	0.1078
Weighted residual factors for significantly intense reflections	0.1372
Weighted residual factors for all reflections included in the refinement	0.1933
Goodness-of-fit parameter for all reflections included in the refinement	0.997
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.	1536876.cif
164766	2015-10-10	cif/ Adding structures of 1536875, 1536876, 1536877, 1536878, 1536879, 1536880, 1536881, 1536882 via cif-deposit CGI script.	1536876.cif