Crystallography Open Database

Information card for entry 7059078

Preview

Coordinates	7059078.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H15 N3 O4 Zn
Calculated formula	C20 H15 N3 O4 Zn
Title of publication	3-Amino-1-propanol and N-methylaminoethanol: coordination to zinc(ii) vs. decomposition to ammonia
Authors of publication	Podjed, Nina; Stare, Petra; Korošec, Romana Cerc; Alcaide, María M.; López-Serrano, Joaquín; Modec, Barbara
Journal of publication	New Journal of Chemistry
Year of publication	2020
Journal volume	44
Journal issue	2
Pages of publication	387 - 400
a	12.3289 ± 0.0004 Å
b	9.6117 ± 0.0004 Å
c	14.9979 ± 0.0006 Å
α	90°
β	97.083 ± 0.003°
γ	90°
Cell volume	1763.71 ± 0.12 Å³
Cell temperature	150 ± 0.1 K
Ambient diffraction temperature	150 ± 0.1 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0453
Residual factor for significantly intense reflections	0.0319
Weighted residual factors for significantly intense reflections	0.0699
Weighted residual factors for all reflections included in the refinement	0.0768
Goodness-of-fit parameter for all reflections included in the refinement	1.054
Diffraction radiation probe	x-ray
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
257748 (current)	2020-10-06	cif/ Updating files of 7059078, 7059079, 7059080, 7059081, 7059082, 7059083 Original log message: Adding full bibliography for 7059078--7059083.cif.	7059078.cif
247788	2020-02-04	cif/ Updating files of 7059078, 7059079, 7059080, 7059081, 7059082, 7059083 Original log message: Adding full bibliography for 7059078--7059083.cif.	7059078.cif
231113	2019-11-21	cif/ Adding structures of 7059078, 7059079, 7059080, 7059081, 7059082, 7059083 via cif-deposit CGI script.	7059078.cif