Crystallography Open Database

Information card for entry 2227869

Preview

Structure parameters

Chemical name	Aquachlorido(2,2':6',2''-terpyridyl)copper(II) chloride monohydrate
Formula	C15 H15 Cl2 Cu N3 O2
Calculated formula	C15 H15 Cl2 Cu N3 O2
Title of publication	Aquachlorido(2,2':6',2''-terpyridyl)copper(II) chloride monohydrate
Authors of publication	Schmitt, Laurette; Labat, Gaël; Stoeckli-Evans, Helen
Journal of publication	Acta Crystallographica Section E
Year of publication	2010
Journal volume	66
Journal issue	9
Pages of publication	m1169
a	9.7155 ± 0.0008 Å
b	13.6929 ± 0.0008 Å
c	12.6599 ± 0.001 Å
α	90°
β	107.532 ± 0.006°
γ	90°
Cell volume	1606 ± 0.2 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
Space group number	12
Hermann-Mauguin space group symbol	C 1 2/m 1
Hall space group symbol	-C 2y
Residual factor for all reflections	0.0334
Residual factor for significantly intense reflections	0.0295
Weighted residual factors for significantly intense reflections	0.0777
Weighted residual factors for all reflections included in the refinement	0.0792
Goodness-of-fit parameter for all reflections included in the refinement	1.088
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/2227869.html