Crystallography Open Database

Information card for entry 2012938

2012937 << 2012938 >> 2012939

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Coordinates	2012938.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	Tetrakis(μ-guanidinoacetic acid-κ^2^O:O')bis[(nitrato-κ^2^O)copper(II)]
Formula	C12 H28 Cu2 N16 O20
Calculated formula	C12 H28 Cu2 N16 O20
SMILES	C1(CNC(=[NH2+])N)=[O][Cu]234(ON(=O)=O)OC(CNC(=[NH2+])N)=[O][Cu]4(O1)([O]=C(CNC(=[NH2+])N)O3)(OC(CNC(=[NH2+])N)=[O]2)ON(=O)=O.N(=O)(=O)[O-].N(=O)(=O)[O-]
Title of publication	Tetrakis(μ-guanidinoacetic acid-κ^2^<i>O</i>:<i>O</i>')bis[(nitrato-κ<i>O</i>)copper(II)]
Authors of publication	Jussara Lopes de Miranda; Judith Felcman; James L. Wardell; Janet M. S. Skakle
Journal of publication	Acta Crystallographica Section C
Year of publication	2002
Journal volume	58
Journal issue	9
Pages of publication	m471 - m474
a	7.2535 ± 0.0008 Å
b	10.3652 ± 0.0012 Å
c	10.5626 ± 0.0012 Å
α	99.262 ± 0.002°
β	94.862 ± 0.002°
γ	105.844 ± 0.002°
Cell volume	747.05 ± 0.15 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 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	0.0535
Residual factor for significantly intense reflections	0.0417
Weighted residual factors for significantly intense reflections	0.1102
Weighted residual factors for all reflections included in the refinement	0.115
Goodness-of-fit parameter for all reflections included in the refinement	1.032
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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