Crystallography Open Database

Information card for entry 2204455

2204454 << 2204455 >> 2204456

Preview

Coordinates	2204455.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	catena-Poly[bis[aqua(1,10-phenanthroline)cobalt(II)]-μ~4~-1,2,4,5- benzenetetracarboxylato]
Formula	C34 H22 Co2 N4 O10
Calculated formula	C34 H22 Co2 N4 O10
SMILES	[Co]1([OH2])([n]2c3c4[n]1cccc4ccc3ccc2)OC(=O)c1c2C3=[O][Co]4(O3)([OH2])([n]3c5c(ccc3)ccc3ccc[n]4c35)OC(=O)c3c(C(=O)[O-])cc(C(=O)[O-])c(c3)C3=[O][Co]4(O3)([OH2])([n]3c5c(ccc3)ccc3ccc[n]4c35)OC(=O)c(c2)c(c1)C1=[O][Co]2(O1)([OH2])[n]1c3c(ccc1)ccc1ccc[n]2c31
Title of publication	<i>catena</i>-Poly[bis[aqua(1,10-phenanthroline)cobalt(II)]-μ~4~-1,2,4,5-benzenetetracarboxylato]
Authors of publication	Fu, Yun-Long; Ren, Jia-Lin; Ng, Seik Weng
Journal of publication	Acta Crystallographica Section E
Year of publication	2004
Journal volume	60
Journal issue	11
Pages of publication	m1716 - m1718
a	7.542 ± 0.002 Å
b	21.22 ± 0.005 Å
c	9.478 ± 0.002 Å
α	90°
β	95.836 ± 0.004°
γ	90°
Cell volume	1509 ± 0.6 Å³
Cell temperature	295 ± 2 K
Ambient diffraction temperature	295 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/a 1
Hall space group symbol	-P 2yab
Residual factor for all reflections	0.1071
Residual factor for significantly intense reflections	0.0739
Weighted residual factors for significantly intense reflections	0.1757
Weighted residual factors for all reflections included in the refinement	0.1946
Goodness-of-fit parameter for all reflections included in the refinement	1.081
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

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