Crystallography Open Database

Information card for entry 1519454

1519453 << 1519454 >> 1519455

Preview

Coordinates	1519454.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C54 H46 Cl2 O4 P2 Pd
Calculated formula	C54 H46 Cl2 O4 P2 Pd
SMILES	[Pd](Cl)(Cl)([P](c1ccccc1)(c1ccccc1)c1ccc(cc1)C(=O)OCc1ccc(cc1)C)[P](c1ccccc1)(c1ccccc1)c1ccc(cc1)C(=O)OCc1ccc(cc1)C
Title of publication	Pd-complex driven formation of single-chain nanoparticles
Authors of publication	Willenbacher, Johannes; Altintas, Ozcan; Trouillet, Vanessa; Knöfel, Nicolai; Monteiro, Michael J.; Roesky, Peter W.; Barner-Kowollik, Christopher
Journal of publication	Polym. Chem.
Year of publication	2015
Journal volume	6
Journal issue	24
Pages of publication	4358
a	9.5159 ± 0.0019 Å
b	9.961 ± 0.002 Å
c	14.355 ± 0.003 Å
α	72.77 ± 0.03°
β	70.85 ± 0.03°
γ	66.35 ± 0.03°
Cell volume	1155.9 ± 0.5 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200.15 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	0.0315
Weighted residual factors for significantly intense reflections	0.0735
Weighted residual factors for all reflections included in the refinement	0.0756
Goodness-of-fit parameter for all reflections included in the refinement	0.955
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
143769 (current)	2015-07-11	cif/ Updating files of 1519454, 1519455 Original log message: Adding full bibliography for 1519454--1519455.cif.	1519454.cif
136004	2015-05-09	cif/ Adding structures of 1519454, 1519455 via cif-deposit CGI script.	1519454.cif