Crystallography Open Database

Information card for entry 7001820

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Coordinates	7001820.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H45 Cl3 N8 O3
Calculated formula	C21 H45 Cl3 N8 O3
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	7.923 ± 0.0005 Å
b	7.923 ± 0.0005 Å
c	13.4371 ± 0.0011 Å
α	90°
β	90°
γ	120°
Cell volume	730.49 ± 0.09 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
Space group number	174
Hermann-Mauguin space group symbol	P -6
Hall space group symbol	P -6
Residual factor for all reflections	0.0284
Residual factor for significantly intense reflections	0.0257
Weighted residual factors for significantly intense reflections	0.0665
Weighted residual factors for all reflections included in the refinement	0.0689
Goodness-of-fit parameter for all reflections included in the refinement	1.076
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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