Crystallography Open Database

Information card for entry 4341885

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Coordinates	4341885.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C378 H444 Cu12 N56 O95
Calculated formula	C378 H444 Cu12 N56 O95
Title of publication	Dicarboxylate Recognition Properties of a Dinuclear Copper(II) Cryptate.
Authors of publication	Mateus, Pedro; Delgado, Rita; André, Vânia; Duarte, M. Teresa
Journal of publication	Inorganic chemistry
Year of publication	2015
Journal volume	54
Journal issue	1
Pages of publication	229 - 240
a	23.0525 ± 0.0011 Å
b	23.0525 ± 0.0011 Å
c	68.656 ± 0.004 Å
α	90°
β	90°
γ	120°
Cell volume	31597 ± 3 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 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	0.1943
Residual factor for significantly intense reflections	0.1024
Weighted residual factors for significantly intense reflections	0.2889
Weighted residual factors for all reflections included in the refinement	0.331
Goodness-of-fit parameter for all reflections included in the refinement	0.998
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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