Crystallography Open Database

Information card for entry 7205552

7205551 << 7205552 >> 7205553

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Coordinates	7205552.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C9 H10 Cl2 N5 O Pd
Calculated formula	C9 H10 Cl2 N5 O Pd
SMILES	[Pd]1([n]2c(C3N1N(C(=O)N(N=3)C)C)cccc2)(Cl)Cl
Title of publication	Magnetostructural studies of palladium(ii) and platinum(ii) complexes of verdazyl radicals
Authors of publication	McKinnon, Stephen D. J.; Gilroy, Joe B.; McDonald, Robert; Patrick, Brian O.; Hicks, Robin G.
Journal of publication	Journal of Materials Chemistry
Year of publication	2011
Journal volume	21
Journal issue	5
Pages of publication	1523
a	6.9439 ± 0.0008 Å
b	11.4246 ± 0.0013 Å
c	15.6571 ± 0.0018 Å
α	90°
β	90°
γ	90°
Cell volume	1242.1 ± 0.2 Å³
Cell temperature	193 ± 2 K
Ambient diffraction temperature	193 ± 2 K
Number of distinct elements	6
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0165
Residual factor for significantly intense reflections	0.0159
Weighted residual factors for significantly intense reflections	0.0399
Weighted residual factors for all reflections included in the refinement	0.0402
Goodness-of-fit parameter for all reflections included in the refinement	1.09
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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