Crystallography Open Database

Information card for entry 4116056

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Coordinates	4116056.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C176 H220 Cl4 N14 O32 Zn2
Calculated formula	C174 Cl4 N14 O32 Zn2
Title of publication	Calix[6]arenes and Zinc: Biomimetic Receptors for Neutral Molecules
Authors of publication	Olivier Sénèque; Marie-Noëlle Rager; Michel Giorgi; Olivia Reinaud
Journal of publication	Journal of the American Chemical Society
Year of publication	2000
Journal volume	122
Pages of publication	6183 - 6189
a	18.2411 ± 0.0008 Å
b	22.9074 ± 0.0008 Å
c	24.7429 ± 0.0012 Å
α	90.442 ± 0.002°
β	77.707 ± 0.002°
γ	78.95 ± 0.002°
Cell volume	9901.9 ± 0.7 Å³
Cell temperature	175 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for significantly intense reflections	0.125
Weighted residual factors for significantly intense reflections	0.1339
Goodness-of-fit parameter for significantly intense reflections	5.09
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	xray
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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