Crystallography Open Database

Information card for entry 4337765

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Coordinates	4337765.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C44 H44 N2 O8
Calculated formula	C44 H44 N2 O8
Title of publication	Tetracarboxylate Ligands as New Chelates Supporting Copper(II) Paddlewheel-Like Structures.
Authors of publication	Gomila, Antoine; Duval, Sylvain; Besnard, Céline; Krämer, Karl W; Liu, Shi-Xia; Decurtins, Silvio; Williams, Alan F.
Journal of publication	Inorganic chemistry
Year of publication	2014
Journal volume	53
Journal issue	5
Pages of publication	2683 - 2691
a	11.6522 ± 0.0005 Å
b	12.1177 ± 0.0007 Å
c	13.7807 ± 0.0008 Å
α	104.26 ± 0.005°
β	94.848 ± 0.004°
γ	91.927 ± 0.004°
Cell volume	1876.12 ± 0.18 Å³
Cell temperature	220 ± 0.14 K
Ambient diffraction temperature	220 ± 0.14 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0782
Residual factor for significantly intense reflections	0.0524
Weighted residual factors for significantly intense reflections	0.1321
Weighted residual factors for all reflections included in the refinement	0.1522
Goodness-of-fit parameter for all reflections included in the refinement	1.038
Diffraction radiation wavelength	1.5418 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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