Crystallography Open Database

Information card for entry 7001823

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Coordinates	7001823.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H64 N8 O14
Calculated formula	C21 H63.92 N8 O13.98
Title of publication	A novel trisprotonated β-dialdiminate cryptand
Authors of publication	Chin, Aileen; Edgar, Mark; Harding, Charles J; McKee, Vickie; Nelson, Jane
Journal of publication	Dalton Transactions
Year of publication	2009
Journal issue	32
Pages of publication	6315 - 6326
a	8.0397 ± 0.0009 Å
b	8.0397 ± 0.0009 Å
c	33.925 ± 0.004 Å
α	90°
β	90°
γ	120°
Cell volume	1899 ± 0.4 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	4
Space group number	188
Hermann-Mauguin space group symbol	P -6 c 2
Hall space group symbol	P -6c 2
Residual factor for all reflections	0.0758
Residual factor for significantly intense reflections	0.0689
Weighted residual factors for significantly intense reflections	0.1941
Weighted residual factors for all reflections included in the refinement	0.2018
Goodness-of-fit parameter for all reflections included in the refinement	1.085
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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