Crystallography Open Database

Information card for entry 1572441

Preview

Coordinates	1572441.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	Poly[tris(2-aminobutan-1-ol)copper(II) [hexakis-μ~2~-cyanido-κ^12^<i>C</i>:<i>N</i>-tetracopper(I)] bis(2-aminobutan-1-olato)aquacopper(II) monohydrate]
Formula	C26 H57 Cu6 N11 O7
Calculated formula	C26 H57 Cu6 N11 O7
Title of publication	Poly[tris(2-aminobutan-1-ol)copper(II) [hexakis-μ2-cyanido-κ12 C:N-tetracopper(I)] bis(2-aminobutan-1-olato)aquacopper(II) monohydrate]
Authors of publication	Corfield, Peter W. R.; Salvi, Paul
Journal of publication	IUCrData
Year of publication	2024
Journal volume	9
Journal issue	8
Pages of publication	x240845
a	11.1008 ± 0.0002 Å
b	14.9561 ± 0.0003 Å
c	12.7221 ± 0.0002 Å
α	90°
β	91.486 ± 0.001°
γ	90°
Cell volume	2111.47 ± 0.07 Å³
Cell temperature	297 ± 2 K
Ambient diffraction temperature	297 ± 2 K
Number of distinct elements	5
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0641
Residual factor for significantly intense reflections	0.0303
Weighted residual factors for significantly intense reflections	0.0747
Weighted residual factors for all reflections included in the refinement	0.0938
Goodness-of-fit parameter for all reflections included in the refinement	1.126
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
300370 (current)	2025-07-05	Updating bibliography information from the data sent by Robert McMeeking. cod/ (saulius@pterodaktilis)	1572441.cif
294316	2024-08-31	cif/ Adding structures of 1572441 via cif-deposit CGI script.	1572441.cif