Crystallography Open Database

Information card for entry 7027753

Preview

Coordinates	7027753.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C48 H48 Cl3 N9 O17 Zn2
Calculated formula	C48 H48 Cl3 N9 O17 Zn2
Title of publication	Zinc and cadmium complexes of an 18-membered N4O2 oxaaza-Schiff base macrocycle and the corresponding reduced form †
Authors of publication	Adams, Harry; Bastida, Rufina; Fenton, David E.; Macías, Alejandro; Spey, Sharon E.; Valencia, Laura
Journal of publication	Journal of the Chemical Society, Dalton Transactions
Year of publication	1999
Journal issue	23
Pages of publication	4131
a	19.5154 ± 0.001 Å
b	12.2075 ± 0.0006 Å
c	22.3744 ± 0.0012 Å
α	90°
β	96.822 ± 0.001°
γ	90°
Cell volume	5292.6 ± 0.5 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
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	0.0903
Residual factor for significantly intense reflections	0.0534
Weighted residual factors for significantly intense reflections	0.1337
Weighted residual factors for all reflections included in the refinement	0.1539
Goodness-of-fit parameter for all reflections included in the refinement	0.868
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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