Crystallography Open Database

Information card for entry 7057638

Preview

Coordinates	7057638.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H20 Cl6 Cu N4 O2
Calculated formula	C12 H20 Cl6 Cu N4 O2
Title of publication	The effects of protonated heterocyclic cations on the structural and magnetic properties of tetrachlorocuprate(ii) anions; X-ray, magnetochemical and EPR studies
Authors of publication	Kersen, Ülo; Wojtczak, Andrzej; Bienko, Alina; Jezierska, Julia
Journal of publication	New Journal of Chemistry
Year of publication	2018
Journal volume	42
Journal issue	19
Pages of publication	15705
a	7.1563 ± 0.0006 Å
b	8.0445 ± 0.0005 Å
c	9.1508 ± 0.0008 Å
α	94.831 ± 0.006°
β	90.917 ± 0.007°
γ	91.361 ± 0.006°
Cell volume	524.7 ± 0.07 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0483
Residual factor for significantly intense reflections	0.0355
Weighted residual factors for significantly intense reflections	0.0902
Weighted residual factors for all reflections included in the refinement	0.0949
Goodness-of-fit parameter for all reflections included in the refinement	1.083
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
230335 (current)	2019-11-17	cif/ Updating files of 7057638, 7057639 Original log message: Adding full bibliography for 7057638--7057639.cif.	7057638.cif
209538	2018-08-10	cif/ Adding structures of 7057638, 7057639 via cif-deposit CGI script.	7057638.cif