Crystallography Open Database

Information card for entry 7112341

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Coordinates	7112341.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C11 H12 N O3
Calculated formula	C11 H12 N O3
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	6.656 ± 0.0002 Å
b	9.1479 ± 0.0002 Å
c	16.3406 ± 0.0004 Å
α	90°
β	93.502 ± 0.002°
γ	90°
Cell volume	993.1 ± 0.04 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	4
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	0.0409
Residual factor for significantly intense reflections	0.0327
Weighted residual factors for significantly intense reflections	0.0993
Weighted residual factors for all reflections included in the refinement	0.103
Goodness-of-fit parameter for all reflections included in the refinement	0.94
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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