Crystallography Open Database

Information card for entry 7705494

Preview

Coordinates	7705494.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H22 Cl2 Cu N4 O12
Calculated formula	C16 H22 Cl2 Cu N4 O12
Title of publication	Pyrazine-bridged Cu(ii) chains: diaquabis(n-methyl-2-pyridone)copper(ii) perchlorate complexes.
Authors of publication	Kirkman-Davis, Emma; Witkos, Faith E.; Selmani, Veli; Monroe, Jeffrey C.; Landee, Christopher P.; Turnbull, Mark M.; Dawe, Louise N.; Polson, Matthew I. J.; Wikaira, Jan L.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2020
Journal volume	49
Journal issue	39
Pages of publication	13693 - 13703
a	6.8276 ± 0.0015 Å
b	8.1623 ± 0.0012 Å
c	10.464 ± 0.002 Å
α	90.864 ± 0.015°
β	99.515 ± 0.017°
γ	93.963 ± 0.016°
Cell volume	573.54 ± 0.19 Å³
Cell temperature	280 ± 0.1 K
Ambient diffraction temperature	280 ± 0.1 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	0.0866
Residual factor for significantly intense reflections	0.064
Weighted residual factors for significantly intense reflections	0.1596
Weighted residual factors for all reflections included in the refinement	0.1707
Goodness-of-fit parameter for all reflections included in the refinement	0.968
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
258819 (current)	2020-11-06	cif/ Updating files of 7705494, 7705495, 7705496, 7705497, 7705498, 7705499 Original log message: Adding full bibliography for 7705494--7705499.cif.	7705494.cif
256696	2020-09-24	cif/ Adding structures of 7705494, 7705495, 7705496, 7705497, 7705498, 7705499 via cif-deposit CGI script.	7705494.cif