Crystallography Open Database

Information card for entry 2012709

2012708 << 2012709 >> 2012710

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Coordinates	2012709.cif
Structure factors	2012709.hkl
Original IUCr paper	HTML

Structure parameters

Chemical name	catena-poly-[[aqua(1,10-phenanthroline-κ^2^N,N')cobalt(II)]-μ-benzene- 1,4-dicarboxylato-κ^2^O^1^,O^4^]
Formula	C20 H14 Co N2 O5
Calculated formula	C20 H14 Co N2 O5
SMILES	[Co]1([OH2])([n]2cccc3ccc4ccc[n]1c4c23)OC(=O)c1ccc(cc1)C(=O)O[Co]1([OH2])(OC(=O)c2ccc(cc2)C(=O)[O-])[n]2cccc3ccc4ccc[n]1c4c23
Title of publication	Comparison of two polymeric transition metal complexes with 1,4-benzenedicarboxylate ions as bridging ligands, [Co(C~8~H~4~O~4~)(C~12~H~8~N~2~)(H~2~O)] and [Cu(C~8~H~4~O~4~)(C~10~H~9~N~3~)]·H~2~O
Authors of publication	Karanović, Ljiljana; Poleti, Dejan; Rogan, Jelena; Bogdanović, Goran A.; Spasojević-de Biré, Anne
Journal of publication	Acta Crystallographica Section C
Year of publication	2002
Journal volume	58
Journal issue	5
Pages of publication	m275 - m279
a	9.2688 ± 0.0017 Å
b	10.455 ± 0.0018 Å
c	11.349 ± 0.002 Å
α	112.462 ± 0.003°
β	94.924 ± 0.002°
γ	113.908 ± 0.002°
Cell volume	890.6 ± 0.3 Å³
Cell temperature	298 ± 1 K
Ambient diffraction temperature	298 ± 1 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.077
Residual factor for significantly intense reflections	0.037
Weighted residual factors for significantly intense reflections	0.054
Weighted residual factors for all reflections included in the refinement	0.06
Goodness-of-fit parameter for all reflections included in the refinement	0.876
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

Version history

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