Crystallography Open Database

Information card for entry 4334642

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Coordinates	4334642.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H32 Cl2 Cu N4 O13
Calculated formula	C26 H32 Cl2 Cu N4 O13
Title of publication	Remarkable Inertness of Copper(II) Chelates of Cyclen-Based Macrobicycles with Two trans-N-Acetate Arms
Authors of publication	Catarina V. Esteves; Pedro Lamosa; Rita Delgado; Judite Costa; Pauline Désogère; Yoann Rousselin; Christine Goze; Franck Denat
Journal of publication	Inorganic Chemistry
Year of publication	2013
Journal volume	52
Pages of publication	5138 - 5153
a	9.9335 ± 0.0002 Å
b	26.1852 ± 0.0006 Å
c	14.6608 ± 0.0002 Å
α	90°
β	132.341 ± 0.001°
γ	90°
Cell volume	2818.69 ± 0.1 Å³
Cell temperature	115 ± 2 K
Ambient diffraction temperature	115 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0533
Residual factor for significantly intense reflections	0.044
Weighted residual factors for significantly intense reflections	0.0912
Weighted residual factors for all reflections included in the refinement	0.0966
Goodness-of-fit parameter for all reflections included in the refinement	1.067
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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