Crystallography Open Database

Information card for entry 4116948

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Coordinates	4116948.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C33 H72 N18 O21 Zn3
Calculated formula	C33 H66 N18 O21 Zn3
Title of publication	A Tris(ZnII-1,4,7,10-tetraazacyclododecane) Complex as a New Receptor for Phosphate Dianions in Aqueous Solution
Authors of publication	Eiichi Kimura; Shin Aoki; Tohru Koike; Motoo Shiro
Journal of publication	Journal of the American Chemical Society
Year of publication	1997
Journal volume	119
Pages of publication	3068 - 3076
a	15.668 ± 0.006 Å
b	15.914 ± 0.003 Å
c	15.614 ± 0.002 Å
α	91.73 ± 0.01°
β	120.19 ± 0.02°
γ	116.85 ± 0.02°
Cell volume	2830.3 ± 1.7 Å³
Cell temperature	288.2 K
Ambient diffraction temperature	298 K
Number of distinct elements	5
Space group number	1
Hermann-Mauguin space group symbol	P 1
Hall space group symbol	P 1
Residual factor for significantly intense reflections	0.0514
Weighted residual factors for significantly intense reflections	0.0705
Goodness-of-fit parameter for significantly intense reflections	1.14
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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