Crystallography Open Database

Information card for entry 4025917

Preview

Coordinates	4025917.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C45 H36 I4 N8 O12 U2
Calculated formula	C44 H36 Cu2 I4 N8 O12
Title of publication	Bond-valence approach to the copper-copper and copper-nitrogen bonding in binuclear copper(II) complexes: Structure of tetrakis(2-iodobenzoato)bis(caffeine)dicopper(II) at 210 K
Authors of publication	Fedor Valach; Miroslav Tokarčík; Thierry Maris; David J. Watkin; Keith Prout
Journal of publication	Journal of Organometallic Chemistry
Year of publication	2001
Journal volume	622
Pages of publication	166 - 171
a	13.609 ± 0.0004 Å
b	13.59 ± 0.0002 Å
c	14.537 ± 0.0004 Å
α	90°
β	116.394 ± 0.001°
γ	90°
Cell volume	2408.3 ± 0.11 Å³
Cell temperature	210 K
Ambient diffraction temperature	210 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for significantly intense reflections	0.0533
Weighted residual factors for all reflections included in the refinement	0.0389
Goodness-of-fit parameter for all reflections included in the refinement	1.044
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MOKA
Has coordinates	Yes
Has disorder	No
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4025917.html