Crystallography Open Database

Information card for entry 1550218

Preview

Coordinates	1550218.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C44 H36 D24 Mo2 O12 S4
Calculated formula	C44 H36 D24 Mo2 O12 S4
Title of publication	M24+ paddlewheel clusters as junction points in single-chain nanoparticles
Authors of publication	Knöfel, Nicolai D.; Rothfuss, Hannah; Barner-Kowollik, Christopher; Roesky, Peter W.
Journal of publication	Polymer Chemistry
Year of publication	2019
Journal volume	10
Journal issue	1
Pages of publication	86
a	10.066 ± 0.002 Å
b	11.5 ± 0.002 Å
c	12.806 ± 0.003 Å
α	67.91 ± 0.03°
β	88.31 ± 0.03°
γ	67.8 ± 0.03°
Cell volume	1260.8 ± 0.6 Å³
Cell temperature	210 ± 2 K
Ambient diffraction temperature	210 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	0.0311
Residual factor for significantly intense reflections	0.0257
Weighted residual factors for significantly intense reflections	0.0632
Weighted residual factors for all reflections included in the refinement	0.0642
Goodness-of-fit parameter for all reflections included in the refinement	0.965
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
225336 (current)	2019-11-08	cif/ Updating files of 1550218, 1550219 Original log message: Adding full bibliography for 1550218--1550219.cif.	1550218.cif
211900	2018-11-11	cif/ Adding structures of 1550218, 1550219 via cif-deposit CGI script.	1550218.cif