Crystallography Open Database

Information card for entry 4327394

Preview

Coordinates	4327394.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C56 H72 Cl4 N12 O8 Pd2
Calculated formula	C56 H72 Cl4 N12 O8 Pd2
SMILES	[Pd]1(Cl)(Cl)[n]2cc(ccc2)NC(=O)c2cc(C(=O)Nc3c[n](ccc3)[Pd](Cl)(Cl)[n]3cc(ccc3)NC(=O)c3cc(C(=O)Nc4c[n]1ccc4)cc(c3)C(C)(C)C)cc(c2)C(C)(C)C.C(=O)N(C)C.C(=O)N(C)C.C(=O)N(C)C.C(=O)N(C)C
Title of publication	Macrocyclic and Lantern Complexes of Palladium(II) with Bis(amidopyridine) Ligands: Synthesis, Structure, and Host-Guest Chemistry
Authors of publication	Nancy L. S. Yue; Dana J. Eisler; Michael C. Jennings; Richard J. Puddephatt
Journal of publication	Inorganic Chemistry
Year of publication	2004
Journal volume	43
Pages of publication	7671 - 7681
a	9.3407 ± 0.0001 Å
b	23.6773 ± 0.0004 Å
c	14.0328 ± 0.0002 Å
α	90°
β	95.367 ± 0.001°
γ	90°
Cell volume	3089.92 ± 0.08 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.1023
Residual factor for significantly intense reflections	0.0449
Weighted residual factors for significantly intense reflections	0.0854
Weighted residual factors for all reflections included in the refinement	0.0987
Goodness-of-fit parameter for all reflections included in the refinement	0.979
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179376 (current)	2016-03-23	cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/73.	4327394.cif
120105	2014-07-12	Adding DOIs to range 4/32 structures.	4327394.cif
61165	2012-06-25	cif/ Adding structures of 4327394 via cif-deposit CGI script.	4327394.cif