Crystallography Open Database

Information card for entry 7050195

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Structure parameters

Formula	C18 H26 O6
Calculated formula	C18 H26 O6
SMILES	C(=O)(COc1c(cc(c(c1)OCC(=O)O)C(C)(C)C)C(C)(C)C)O
Title of publication	Dirhodium (ii) carboxylate complexes as building blocks. cis-Chelating dicarboxylic acids designed to bridge the dinuclear coreElectronic supplementary information (ESI) available: Tables S1 and S2. See http://www.rsc.org/suppdata/nj/b3/b310008a/
Authors of publication	Bickley, Jamie; Bonar-Law, Richard; McGrath, Thomas; Singh, Nirmal; Steiner, Alexander
Journal of publication	New Journal of Chemistry
Year of publication	2004
Journal volume	28
Journal issue	3
Pages of publication	425
a	19.461 ± 0.003 Å
b	5.7894 ± 0.0007 Å
c	32.412 ± 0.006 Å
α	90°
β	94.33 ± 0.02°
γ	90°
Cell volume	3641.4 ± 1 Å³
Cell temperature	213 ± 2 K
Ambient diffraction temperature	213 ± 2 K
Number of distinct elements	3
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.075
Residual factor for significantly intense reflections	0.0535
Weighted residual factors for significantly intense reflections	0.1245
Weighted residual factors for all reflections included in the refinement	0.1393
Goodness-of-fit parameter for all reflections included in the refinement	1.058
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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