Crystallography Open Database

Information card for entry 2205097

2205096 << 2205097 >> 2205098

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Coordinates	2205097.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	μ-Terephthalato-bis[bis(2,2'-bipyridine)copper(II)] diperchlorate dihydrate
Formula	C48 H40 Cl2 Cu2 N8 O14
Calculated formula	C48 H40 Cl2 Cu2 N8 O14
SMILES	c1cccc2[n]1[Cu]1([n]3ccccc3c3[n]1cccc3)(OC(=O)c1ccc(C(=O)O[Cu]34([n]5ccccc5c5cccc[n]35)[n]3ccccc3c3[n]4cccc3)cc1)[n]1c2cccc1.[O-]Cl(=O)(=O)=O.O.[O-]Cl(=O)(=O)=O.O
Title of publication	μ-Terephthalato-bis[bis(2,2'-bipyridine)copper(II)] bis(perchlorate) dihydrate
Authors of publication	Sai-Zhen Yang; Xin-Hua Li
Journal of publication	Acta Crystallographica Section E
Year of publication	2005
Journal volume	61
Journal issue	2
Pages of publication	m356 - m357
a	9.9505 ± 0.0014 Å
b	11.1049 ± 0.0014 Å
c	12.1187 ± 0.0014 Å
α	74.621 ± 0.002°
β	66.75 ± 0.002°
γ	89.352 ± 0.002°
Cell volume	1179.7 ± 0.3 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 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	0.0496
Residual factor for significantly intense reflections	0.0448
Weighted residual factors for significantly intense reflections	0.1193
Weighted residual factors for all reflections included in the refinement	0.1233
Goodness-of-fit parameter for all reflections included in the refinement	1.049
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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