Crystallography Open Database

Information card for entry 4309475

Preview

Coordinates	4309475.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H72 Cu2 N20
Calculated formula	C32 H72 Cu2 N20
SMILES	C(CCC)[N+](CCCC)(CCCC)CCCC.[N]1(=N#N)[Cu](N=N#N)(N=N#N)[N](=N#N)[Cu]1(N=N#N)N=N#N.C(CCC)[N+](CCCC)(CCCC)CCCC
Title of publication	Cation-Dependent Nuclearity of the Copper-Azido Moiety: Synthesis, Structure, and Magnetic Study
Authors of publication	Sandip Saha; Subratanath Koner; Jean-Pierre Tuchagues; Athanassios K. Boudalis; Ken-Ichi Okamoto; Surajit Banerjee; Dasarath Mal
Journal of publication	Inorganic Chemistry
Year of publication	2005
Journal volume	44
Pages of publication	6379 - 6385
a	10.671 ± 0.009 Å
b	12.239 ± 0.009 Å
c	10.591 ± 0.005 Å
α	110.01 ± 0.04°
β	93.91 ± 0.05°
γ	113.28 ± 0.05°
Cell volume	1160.3 ± 1.6 Å³
Cell temperature	296.2 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 significantly intense reflections	0.0629
Weighted residual factors for all reflections included in the refinement	0.1885
Goodness-of-fit parameter for all reflections included in the refinement	1.074
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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