Crystallography Open Database

Information card for entry 4315834

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Coordinates	4315834.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C43 H72 Al Na O6
Calculated formula	C43 H72 Al Na O6
SMILES	[Al]12([OH][Na]([O]2c2c(C(c4cc(cc(c4O1)C(C)(C)C)C(C)(C)C)C)cc(cc2C(C)(C)C)C(C)(C)C)([O]1CCCC1)([O]1CCCC1)[O]1CCCC1)C
Title of publication	Bulky Bisphenol Ligand-Supported Aluminum-Sodium Inverse Crown Ether Complex
Authors of publication	Jincai Wu; Xiaobo Pan; Ning Tang; Chu-Chieh Lin
Journal of publication	Inorganic Chemistry
Year of publication	2010
Journal volume	49
Pages of publication	5362 - 5364
a	11.029 ± 0.004 Å
b	24.256 ± 0.007 Å
c	18.807 ± 0.006 Å
α	90°
β	90.195 ± 0.017°
γ	90°
Cell volume	5031 ± 3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.2956
Residual factor for significantly intense reflections	0.0899
Weighted residual factors for significantly intense reflections	0.2007
Weighted residual factors for all reflections included in the refinement	0.3035
Goodness-of-fit parameter for all reflections included in the refinement	0.873
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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