Crystallography Open Database

Information card for entry 7059080

Preview

Coordinates	7059080.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H21 N3 O5 Zn
Calculated formula	C23 H21 N3 O5 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	19.156 ± 0.003 Å
b	7.8984 ± 0.0007 Å
c	14.1312 ± 0.0013 Å
α	90°
β	108.031 ± 0.012°
γ	90°
Cell volume	2033.1 ± 0.4 Å³
Cell temperature	150 ± 0.1 K
Ambient diffraction temperature	150 ± 0.1 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0683
Residual factor for significantly intense reflections	0.0444
Weighted residual factors for significantly intense reflections	0.0911
Weighted residual factors for all reflections included in the refinement	0.1051
Goodness-of-fit parameter for all reflections included in the refinement	1.06
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
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.	7059080.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.	7059080.cif
231113	2019-11-21	cif/ Adding structures of 7059078, 7059079, 7059080, 7059081, 7059082, 7059083 via cif-deposit CGI script.	7059080.cif