Crystallography Open Database

Information card for entry 4323584

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Coordinates	4323584.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C13 H18 Cl Cu N2 O7
Calculated formula	C13 H19 Cl Cu N2 O7
Title of publication	A Trapped Intermediate in the Copper(II)-Mediated Template Synthesis of an Amino Acid-Containing Ligand
Authors of publication	Nydia D. Villanueva; Jeffrey R. Bocarsly; Joseph W. Ziller
Journal of publication	Inorganic Chemistry
Year of publication	1997
Journal volume	36
Pages of publication	4585 - 4592
a	9.0066 ± 0.0005 Å
b	11.104 ± 0.0006 Å
c	16.0091 ± 0.0015 Å
α	90°
β	90°
γ	90°
Cell volume	1601.06 ± 0.19 Å³
Cell temperature	163 K
Ambient diffraction temperature	163 K
Number of distinct elements	6
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0325
Residual factor for significantly intense reflections	0.0265
Weighted residual factors for all reflections	0.0637
Weighted residual factors for significantly intense reflections	0.0612
Goodness-of-fit parameter for all reflections	1.054
Goodness-of-fit parameter for significantly intense reflections	1.08
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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