Crystallography Open Database

Information card for entry 4113331

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Coordinates	4113331.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22.5 H32.5 Cl3.5 N2 O3 Ru
Calculated formula	C22.5 H32.5 Cl3.5 N2 O3 Ru
Title of publication	pH-Triggered Assembly of Organometallic Receptors for Lithium Ions
Authors of publication	Zacharias Grote; Rosario Scopelliti; Kay Severin
Journal of publication	Journal of the American Chemical Society
Year of publication	2004
Journal volume	126
Pages of publication	16959 - 16972
a	9.3253 ± 0.0006 Å
b	16.161 ± 0.005 Å
c	17.709 ± 0.006 Å
α	90°
β	94.734 ± 0.014°
γ	90°
Cell volume	2659.8 ± 1.2 Å³
Cell temperature	140 ± 2 K
Ambient diffraction temperature	140 ± 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	0.0679
Residual factor for significantly intense reflections	0.0527
Weighted residual factors for significantly intense reflections	0.1481
Weighted residual factors for all reflections included in the refinement	0.1659
Goodness-of-fit parameter for all reflections included in the refinement	1.188
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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