Crystallography Open Database

Information card for entry 2006321

2006320 << 2006321 >> 2006322

Preview

Coordinates	2006321.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	tetrakis(μ-benzoato-O:O')-bis(urea-O')dicopper(II),
Formula	C30 H28 Cu2 N4 O10
Calculated formula	C30 H28 Cu2 N4 O10
SMILES	[Cu]1234([O]=C(c5ccccc5)O[Cu]2([O]=C(c2ccccc2)O1)([O]=C(N)N)(OC(c1ccccc1)=[O]3)[O]=C(c1ccccc1)O4)[O]=C(N)N
Title of publication	Tetrakis(μ-benzoato-<i>O</i>:<i>O</i>')bis(urea)-1κ<i>O</i>,2κ<i>O</i>-dicopper(II)
Authors of publication	Leban, Ivan; Grgurevič, Nikolaj; Sieler, Joachim; Šegedin, Primož
Journal of publication	Acta Crystallographica Section C
Year of publication	1997
Journal volume	53
Journal issue	7
Pages of publication	854 - 856
a	26.162 ± 0.007 Å
b	26.162 ± 0.007 Å
c	13.633 ± 0.005 Å
α	90°
β	90°
γ	120°
Cell volume	8081 ± 4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	148
Hermann-Mauguin space group symbol	R -3 :H
Hall space group symbol	-R 3
Residual factor for all reflections	0.1588
Residual factor for significantly intense reflections	0.0621
Weighted residual factors for all reflections	0.2588
Weighted residual factors for significantly intense reflections	0.1985
Goodness-of-fit parameter for all reflections	0.99
Goodness-of-fit parameter for significantly intense reflections	1.15
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

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