Crystallography Open Database

Information card for entry 4511745

Preview

Coordinates	4511745.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C56 H55 Cu2 N16 O40 P W12
Calculated formula	C56 H55 Cu2 N16 O40 P W12
Title of publication	Assembly of Six Polyoxometalate-Based Hybrid Compounds from a Simple Supramolecule to a Complicated Pseudorotaxane Framework via Tuning the pH of the Reaction Systems
Authors of publication	Li, Shaobin; Ma, Huiyuan; Pang, Haijun; Zhang, Li
Journal of publication	Crystal Growth & Design
Year of publication	2014
Journal volume	14
Journal issue	9
Pages of publication	4450
a	15.117 ± 0.005 Å
b	24.346 ± 0.005 Å
c	24.353 ± 0.005 Å
α	90 ± 0.005°
β	99.291 ± 0.005°
γ	90 ± 0.005°
Cell volume	8845 ± 4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.1071
Residual factor for significantly intense reflections	0.0835
Weighted residual factors for significantly intense reflections	0.223
Weighted residual factors for all reflections included in the refinement	0.2372
Goodness-of-fit parameter for all reflections included in the refinement	1.099
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4511745.cif
122870	2014-09-06	cif/ Updating files of 4511742, 4511743, 4511744, 4511745, 4511746, 4511747 Original log message: Adding full bibliography for 4511742--4511747.cif.	4511745.cif
121005	2014-08-01	cif/ Adding structures of 4511742, 4511743, 4511744, 4511745, 4511746, 4511747 via cif-deposit CGI script.	4511745.cif