Crystallography Open Database

Information card for entry 2204938

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Structure parameters

Chemical name	(2,2'-Bipyridine-κ^2^N,N')(3-oxidonaphthalene-2-carboxylato- κ^2^O:O')palladium(II) hemihydrate
Formula	C21 H15 N2 O3.5 Pd
Calculated formula	C21 H15 N2 O3.5 Pd
SMILES	[Pd]12([n]3c(c4[n]2cccc4)cccc3)Oc2cc3ccccc3cc2C(=O)O1.O
Title of publication	(2,2'-Bipyridine-κ^2^<i>N,N</i>')(3-oxidonaphthalene-2-carboxylato-κ^2^<i>O</i>:<i>O</i>')palladium(II) hemihydrate
Authors of publication	Yue Wang; Nobuo Okabe
Journal of publication	Acta Crystallographica Section E
Year of publication	2005
Journal volume	61
Journal issue	1
Pages of publication	m3 - m5
a	21.399 ± 0.008 Å
b	7.504 ± 0.005 Å
c	24.891 ± 0.016 Å
α	90°
β	120.15 ± 0.04°
γ	90°
Cell volume	3456 ± 4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0997
Residual factor for significantly intense reflections	0.0312
Weighted residual factors for significantly intense reflections	0.0402
Weighted residual factors for all reflections included in the refinement	0.0442
Goodness-of-fit parameter for all reflections included in the refinement	0.658
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

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