Crystallography Open Database

Information card for entry 7112340

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Coordinates	7112340.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C44 H52 Cu2 N4 O16
Calculated formula	C44 H52 Cu2 N4 O16
Title of publication	A pH-triggered bistable copper(II) metallacycle as a reversible emulsion switch for biphasic processes.
Authors of publication	do Pim, Walace D.; Oliveira, Willian X. C.; Ribeiro, Marcos A.; de Faria, Érica N; Teixeira, Ivo F.; Stumpf, Humberto O.; Lago, Rochel M.; Pereira, Cynthia L. M.; Pinheiro, Carlos B.; Figueiredo, Jr, João C D; Nunes, Wallace C.; de Souza, Patterson P.; Pedroso, Emerson F.; Castellano, María; Cano, Joan; Julve, Miguel
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2013
Journal volume	49
Journal issue	92
Pages of publication	10778 - 10780
a	8.8221 ± 0.0002 Å
b	11.573 ± 0.0003 Å
c	13.5452 ± 0.0003 Å
α	68.274 ± 0.002°
β	86.53 ± 0.002°
γ	82.154 ± 0.002°
Cell volume	1272.6 ± 0.06 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 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	0.0783
Residual factor for significantly intense reflections	0.0759
Weighted residual factors for significantly intense reflections	0.2447
Weighted residual factors for all reflections included in the refinement	0.2474
Goodness-of-fit parameter for all reflections included in the refinement	1.083
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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