Crystallography Open Database

Information card for entry 2007097

2007096 << 2007097 >> 2007098

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Coordinates	2007097.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	(Isocyanato)bis(2,2'-bipyridine)copper(II) Tricyanomethanide
Formula	C25 H16 Cu N8 O
Calculated formula	C25 H16 Cu N8 O
SMILES	[Cu]12([n]3c(cccc3)c3[n]1cccc3)([n]1c(cccc1)c1[n]2cccc1)N=C=O.[C-](C#N)(C#N)C#N
Title of publication	Bis(2,2'-bipyridine-<i>N</i>,<i>N</i>')(isocyanato-<i>N</i>)copper(II) Tricyanomethanide
Authors of publication	Potočňák, Ivan; Dunaj-Jurčo, Michal; Mikloš, Dušan; Jäger, Lothar
Journal of publication	Acta Crystallographica Section C
Year of publication	1998
Journal volume	54
Journal issue	3
Pages of publication	313 - 315
a	8.955 ± 0.004 Å
b	9.702 ± 0.005 Å
c	14.003 ± 0.005 Å
α	84.72 ± 0.03°
β	85 ± 0.03°
γ	68.74 ± 0.03°
Cell volume	1127.1 ± 0.9 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.163
Residual factor for significantly intense reflections	0.033
Weighted residual factors for all reflections	0.1
Weighted residual factors for all reflections included in the refinement	0.07
Goodness-of-fit parameter for all reflections	0.583
Goodness-of-fit parameter for all reflections included in the refinement	0.691
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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