Crystallography Open Database

Information card for entry 4306144

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Structure parameters

Formula	C67 H66 La N11 O3
Calculated formula	C67 H66 La N11 O3
SMILES	[La]123456(Oc7cccc8c7[n]1c(cc8)c1[n]2c2c(n1CCCC)cc(cc2)C)(Oc1cccc2c1[n]3c(cc2)c1[n]4c2c(n1CCCC)cc(cc2)C)Oc1cccc2c1[n]5c(cc2)c1[n]6c2c(n1CCCC)cc(cc2)C.CC#N.CC#N
Title of publication	Near-Infrared Luminescence of Nine-Coordinate Neodymium Complexes with Benzimidazole-Substituted 8-Hydroxyquinolines
Authors of publication	Nail M. Shavaleev; Rosario Scopelliti; Frédéric Gumy; Jean-Claude G. Bünzli
Journal of publication	Inorganic Chemistry
Year of publication	2008
Journal volume	47
Pages of publication	9055 - 9068
a	19.4306 ± 0.0008 Å
b	25.3001 ± 0.0008 Å
c	12.7795 ± 0.0005 Å
α	90°
β	102.443 ± 0.004°
γ	90°
Cell volume	6134.8 ± 0.4 Å³
Cell temperature	140 ± 2 K
Ambient diffraction temperature	140 ± 2 K
Number of distinct elements	5
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	0.1434
Residual factor for significantly intense reflections	0.0822
Weighted residual factors for significantly intense reflections	0.1327
Weighted residual factors for all reflections included in the refinement	0.1523
Goodness-of-fit parameter for all reflections included in the refinement	1.107
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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