Crystallography Open Database

Information card for entry 2203676

2203675 << 2203676 >> 2203677

Preview

Structure parameters

Chemical name	Chlorobis(1,10-phenanthroline)copper(II) chloride methanol 4.5-hydrate
Formula	C25 H29 Cl2 Cu N4 O5.5
Calculated formula	C25 H29 Cl2 Cu N4 O5.5
SMILES	[Cu]12([n]3cccc4c3c3[n]1cccc3cc4)([n]1cccc3c1c1[n]2cccc1cc3)Cl.CO.[Cl-].O.O.O.O.O
Title of publication	Chlorobis(1,10-phenanthroline)copper(II) chloride methanol solvate 4.5-hydrate
Authors of publication	Lu, Liping; Qin, Shidong; Yang, Pin; Zhu, Miaoli
Journal of publication	Acta Crystallographica Section E
Year of publication	2004
Journal volume	60
Journal issue	5
Pages of publication	m574 - m576
a	23.387 ± 0.005 Å
b	30.418 ± 0.007 Å
c	7.3816 ± 0.0016 Å
α	90°
β	97.714 ± 0.003°
γ	90°
Cell volume	5204 ± 2 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
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	0.1193
Residual factor for significantly intense reflections	0.0973
Weighted residual factors for significantly intense reflections	0.2485
Weighted residual factors for all reflections included in the refinement	0.2789
Goodness-of-fit parameter for all reflections included in the refinement	1.06
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

Version history

Version history is temporarily not available due to server issues.