Crystallography Open Database

Information card for entry 2012820

2012819 << 2012820 >> 2012821

Preview

Coordinates	2012820.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	Bis(tetra-n-butylammonium) di-μ-chloro-bis[(tetramethyl buta-1,3-diene-1,2,3,4-tetracarboxylato-κ^2^C^1^,C^4^)palladium(0)]
Formula	C56 H96 Cl2 N2 O16 Pd2
Calculated formula	C56 H96 Cl2 N2 O16 Pd2
SMILES	C1([Pd]2(C(=C(C=1C(=O)OC)C(=O)OC)C(=O)OC)[Cl][Pd]1(C(=C(C(=C1C(=O)OC)C(=O)OC)C(=O)OC)C(=O)OC)[Cl]2)C(=O)OC.[N+](CCCC)(CCCC)(CCCC)CCCC.[N+](CCCC)(CCCC)(CCCC)CCCC
Title of publication	Bis(tetra-<i>n</i>-butylammonium) di-μ-chloro-bis[(tetramethyl buta-1,3-diene-1,2,3,4-tetracarboxylato-κ^2^<i>C</i>^1^,<i>C</i>^4^)palladium]
Authors of publication	Pérez, José; García, Luis; Serrano, Jose Luis; Pérez, Eduardo; Sánchez, Gregorio; Vives, Jorge
Journal of publication	Acta Crystallographica Section C
Year of publication	2002
Journal volume	58
Journal issue	7
Pages of publication	m404 - m406
a	9.5024 ± 0.0006 Å
b	12.6678 ± 0.0007 Å
c	14.637 ± 0.001 Å
α	95.929 ± 0.005°
β	106.777 ± 0.005°
γ	104.1 ± 0.005°
Cell volume	1607.25 ± 0.19 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.026
Residual factor for significantly intense reflections	0.022
Weighted residual factors for significantly intense reflections	0.054
Weighted residual factors for all reflections included in the refinement	0.055
Goodness-of-fit parameter for all reflections included in the refinement	1.031
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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