Crystallography Open Database

Information card for entry 4308053

Preview

Coordinates	4308053.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H42 Cl2 N2 O16 Pd
Calculated formula	C26 H42 Cl2 N2 O16 Pd
SMILES	Cl[Pd](Cl)([NH2][C@H]1[C@@H](O[C@@H]([C@H]([C@@H]1OC(=O)C)OC(=O)C)COC(=O)C)OC)[NH2][C@H]1[C@@H](O[C@@H]([C@H]([C@@H]1OC(=O)C)OC(=O)C)COC(=O)C)OC
Title of publication	Studies Directed to Understanding the Structure of Chitosan-Metal Complexes: Investigations of Mono- and Disaccharide Models with Platinum(II) Group Metals
Authors of publication	Sine A. Johannesen; Bent O. Petersen; Jens Ø. Duus; Troels Skrydstrup
Journal of publication	Inorganic Chemistry
Year of publication	2007
Journal volume	46
Pages of publication	4326 - 4335
a	36.298 ± 0.003 Å
b	5.4644 ± 0.0004 Å
c	17.3189 ± 0.001 Å
α	90°
β	94.004 ± 0.002°
γ	90°
Cell volume	3426.8 ± 0.4 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	5
Hermann-Mauguin space group symbol	C 1 2 1
Hall space group symbol	C 2y
Residual factor for all reflections	0.0599
Residual factor for significantly intense reflections	0.0434
Weighted residual factors for significantly intense reflections	0.0668
Weighted residual factors for all reflections included in the refinement	0.0718
Goodness-of-fit parameter for all reflections included in the refinement	0.987
Diffraction radiation probe	x-ray
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
179118 (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 4/30/80.	4308053.cif
120081	2014-07-12	Adding DOIs to range 4/30 structures.	4308053.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4308053.cif
1194	2010-06-06	cif/4/ Adding data from Inorg-Chem-2007_01-13/ processing directory.	4308053.cif