Crystallography Open Database

Information card for entry 7001822

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Coordinates	7001822.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25 H52 N8 O4
Calculated formula	C25 H52 N8 O4
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	7.9092 ± 0.0003 Å
b	17.0385 ± 0.0007 Å
c	23.2707 ± 0.0009 Å
α	90°
β	91.043 ± 0.001°
γ	90°
Cell volume	3135.5 ± 0.2 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	4
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	0.0592
Residual factor for significantly intense reflections	0.0472
Weighted residual factors for significantly intense reflections	0.1266
Weighted residual factors for all reflections included in the refinement	0.1364
Goodness-of-fit parameter for all reflections included in the refinement	1.035
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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