Crystallography Open Database

Information card for entry 4113330

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Coordinates	4113330.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23.5 H35 Cl3 N2 O2 Ru
Calculated formula	C23.5 H35 Cl3 N2 O2 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	8.7505 ± 0.0008 Å
b	21.6323 ± 0.0015 Å
c	13.6254 ± 0.0008 Å
α	90°
β	95.697 ± 0.006°
γ	90°
Cell volume	2566.5 ± 0.3 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/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0536
Residual factor for significantly intense reflections	0.0422
Weighted residual factors for significantly intense reflections	0.1157
Weighted residual factors for all reflections included in the refinement	0.1223
Goodness-of-fit parameter for all reflections included in the refinement	1.066
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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