Crystallography Open Database

Information card for entry 4339497

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Coordinates	4339497.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	[(CuCN)~7~(Pym)~2~]
Chemical name	catena-poly[!mu-dipyrimidinehepta-!mu-cyano-)heptacopper(I)]
Formula	C7.5 H4 Cu3.5 N5.5
Calculated formula	C7.5 H4 Cu3.5 N5.5
Title of publication	Copper(I) cyanide networks: synthesis, luminescence behavior and thermal analysis. Part 1. Diimine ligands.
Authors of publication	Tronic, Tristan A.; deKrafft, Kathryn E; Lim, Mi Jung; Ley, Amanda N.; Pike, Robert D.
Journal of publication	Inorganic chemistry
Year of publication	2007
Journal volume	46
Journal issue	21
Pages of publication	8897 - 8912
a	6.7878 ± 0.0001 Å
b	8.7739 ± 0.0001 Å
c	9.3384 ± 0.0001 Å
α	91.846 ± 0.001°
β	97.939 ± 0.001°
γ	108.815 ± 0.001°
Cell volume	519.639 ± 0.012 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0332
Residual factor for significantly intense reflections	0.0329
Weighted residual factors for significantly intense reflections	0.0835
Weighted residual factors for all reflections included in the refinement	0.0838
Goodness-of-fit parameter for all reflections included in the refinement	1.141
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
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.	4339497.cif
117356	2014-06-14	cif/ Adding structures of 4339496, 4339497, 4339498, 4339499, 4339500, 4339501, 4339502, 4339503, 4339504, 4339505 via cif-deposit CGI script.	4339497.cif