Crystallography Open Database

Information card for entry 4307666

Preview

Coordinates	4307666.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C64 H96 N24 O24 Pd4
Calculated formula	C64 H96 N24 O24 Pd4
SMILES	C[N]1(C)CC[N](C)(C)[Pd]21[n]1ccc(cc1)c1cc[n]([Pd]3([N](C)(C)CC[N]3(C)C)[n]3ccc(cc3)c3cc[n]([Pd]4([N](C)(C)CC[N]4(C)C)[n]4ccc(cc4)c4cc[n]([Pd]5([N](C)(C)CC[N]5(C)C)[n]5ccc(c6cc[n]2cc6)cc5)cc4)cc3)cc1.N(=O)(=O)[O-].N(=O)(=O)[O-].N(=O)(=O)[O-].N(=O)(=O)[O-].N(=O)(=O)[O-].N(=O)(=O)[O-].N(=O)(=O)[O-].N(=O)(=O)[O-]
Title of publication	Syntheses and Characterizations of Palladium-Based Molecular Triangle/Square Compounds and Hybrid Composites with Polyoxometalates
Authors of publication	Kazuhiro Uehara; Ko Kasai; Noritaka Mizuno
Journal of publication	Inorganic Chemistry
Year of publication	2007
Journal volume	46
Pages of publication	2563 - 2570
a	45.6921 ± 0.0016 Å
b	8.7721 ± 0.0008 Å
c	36.719 ± 0.003 Å
α	90°
β	126.509 ± 0.002°
γ	90°
Cell volume	11829.4 ± 1.5 Å³
Cell temperature	153 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for significantly intense reflections	0.087
Weighted residual factors for all reflections included in the refinement	0.2531
Goodness-of-fit parameter for all reflections included in the refinement	0.676
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179114 (current)	2016-03-23	cif/4/30/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/30/76.	4307666.cif
120081	2014-07-12	Adding DOIs to range 4/30 structures.	4307666.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4307666.cif
1194	2010-06-06	cif/4/ Adding data from Inorg-Chem-2007_01-13/ processing directory.	4307666.cif