Crystallography Open Database

Information card for entry 2312479

Preview

Coordinates	2312479.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	Poly[bis(2-aminopropanol)tetra-μ-cyanido-tricopper(I,II)]
Formula	C10 H18 Cu3 N6 O2
Calculated formula	C10 H18 Cu3 N6 O2
Title of publication	Crystal structures, electron spin resonance, and thermogravimetric analysis of three mixed-valence copper cyanide polymers.
Authors of publication	Corfield, Peter W. R.; Elsayed, Ahmed; DaCunha, Tristan; Bender, Christopher
Journal of publication	Acta crystallographica. Section C, Structural chemistry
Year of publication	2024
Journal volume	80
Journal issue	6
a	9.3903 ± 0.0004 Å
b	8.9608 ± 0.0004 Å
c	9.7986 ± 0.0004 Å
α	90°
β	112.134 ± 0.003°
γ	90°
Cell volume	763.74 ± 0.06 Å³
Cell temperature	295 ± 2 K
Ambient diffraction temperature	295 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0951
Residual factor for significantly intense reflections	0.0335
Weighted residual factors for significantly intense reflections	0.0813
Weighted residual factors for all reflections included in the refinement	0.1133
Goodness-of-fit parameter for all reflections included in the refinement	1.155
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
291489 (current)	2024-05-04	cif/ Adding structures of 2312478, 2312479, 2312480 via cif-deposit CGI script.	2312479.cif