Crystallography Open Database

Information card for entry 7115851

Preview

Coordinates	7115851.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C84 H110 Cl2 N2 O24 Pd
Calculated formula	C84 H110 Cl2 N2 O24 Pd
SMILES	[Pd]([n]1ccc(cc1)C#Cc1ccc(cc1)C#Cc1cc(OCCOCCOCCOC)c(OCCOCCOCCOC)c(OCCOCCOCCOC)c1)([n]1ccc(cc1)C#Cc1ccc(cc1)C#Cc1cc(OCCOCCOCCOC)c(OCCOCCOCCOC)c(OCCOCCOCCOC)c1)(Cl)Cl
Title of publication	Multiple CH‒O interactions involving glycol chains as driving force for the self-assembly of amphiphilic Pd(II) complexes
Authors of publication	Christina Rest; Anja Martin; Vladimir Stepanenko; Naveen Kumar Allampally; David Schmidt; Gustavo Fernandez
Journal of publication	Chem.Commun.
Year of publication	2014
Journal volume	50
Pages of publication	13366
a	12.7142 ± 0.0005 Å
b	13.0337 ± 0.0005 Å
c	14.4284 ± 0.0005 Å
α	64.884 ± 0.0011°
β	83.659 ± 0.0012°
γ	81.022 ± 0.0012°
Cell volume	2135.77 ± 0.14 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 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	0.0421
Residual factor for significantly intense reflections	0.0296
Weighted residual factors for significantly intense reflections	0.0651
Weighted residual factors for all reflections included in the refinement	0.0688
Goodness-of-fit parameter for all reflections included in the refinement	1.024
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
180272 (current)	2016-03-26	cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/58.	7115851.cif
127738	2014-11-21	cif/ Adding structures of 7115851 via cif-deposit CGI script.	7115851.cif