Crystallography Open Database

Information card for entry 1101084

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Coordinates	1101084.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H26 Cl2 N12 O12 Pd2
Calculated formula	C34 H22 Cl2 N12 O12 Pd2
SMILES	[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O.[Pd]12([n]3cnn4c3n(ccc4=O)[Pd]3([n]4cccc5c4c4[n]3cccc4cc5)[n]3cnn4c3n2ccc4=O)[n]2cccc3c2c2[n]1cccc2cc3.O.O
Title of publication	Solution and solid state coexistence of head‒head and head‒tail isomers in dimeric Pd(II) and Pt(II) complexes of the type [M2(a‒a)2(µ-L-N3N4)2]2+ with a bridging triazolopyrimidine ligand and chelating bidentate diamines
Authors of publication	Mohammad Abul Haj; Miguel Quirós; Juan M. Salas
Journal of publication	J. Chem. Soc., Dalton Trans.
Year of publication	2002
Journal issue	24
Pages of publication	4740 - 4745
a	15.468 ± 0.006 Å
b	20.652 ± 0.01 Å
c	25.162 ± 0.005 Å
α	90°
β	90°
γ	90°
Cell volume	8038 ± 5 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.2782
Residual factor for significantly intense reflections	0.1483
Weighted residual factors for significantly intense reflections	0.2413
Weighted residual factors for all reflections included in the refinement	0.2882
Goodness-of-fit parameter for all reflections included in the refinement	1.485
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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