Crystallography Open Database

Information card for entry 7230339

Preview

Coordinates	7230339.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C46 H58 Cu3 N12 O15
Calculated formula	C46 H58 Cu3 N12 O15
Title of publication	Coordination ability of amino acid hydrazide ligands and their influence on magnetic properties in copper(ii) coordination polymers
Authors of publication	Androš Dubraja, Lidija; Jerić, Ivanka; Puškarić, Andreas; Bronić, Josip; Moreno-Pineda, Eufemio
Journal of publication	CrystEngComm
Year of publication	2018
Journal volume	20
Journal issue	17
Pages of publication	2396
a	12.75 ± 0.005 Å
b	19.729 ± 0.005 Å
c	20.627 ± 0.005 Å
α	90 ± 0.005°
β	90 ± 0.005°
γ	90 ± 0.005°
Cell volume	5189 ± 3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0647
Residual factor for significantly intense reflections	0.0483
Weighted residual factors for significantly intense reflections	0.1147
Weighted residual factors for all reflections included in the refinement	0.1248
Goodness-of-fit parameter for all reflections included in the refinement	1.008
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
228997 (current)	2019-11-17	cif/ Updating files of 7230338, 7230339 Original log message: Adding full bibliography for 7230338--7230339.cif.	7230339.cif
207046	2018-03-22	cif/ Adding structures of 7230338, 7230339 via cif-deposit CGI script.	7230339.cif