Crystallography Open Database

Information card for entry 7707115

Preview

Coordinates	7707115.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C325 H374 Co30 N30 O92 S24
Calculated formula	C313 H336 Co30 N24 O92 S24
Title of publication	A novel series of giant cobalt-calixarene macrocycles: ring-expansion and modulation of pore apertures through recrystallization.
Authors of publication	Zhang, Kai; Du, Shao-Wu
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2021
Journal volume	50
Journal issue	18
Pages of publication	6181 - 6187
a	54.4788 ± 0.0009 Å
b	30.7508 ± 0.0003 Å
c	38.316 ± 0.0008 Å
α	90°
β	110.4 ± 0.002°
γ	90°
Cell volume	60163.7 ± 1.9 Å³
Cell temperature	120 ± 0.14 K
Ambient diffraction temperature	120 ± 0.14 K
Number of distinct elements	6
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for all reflections	0.1286
Residual factor for significantly intense reflections	0.074
Weighted residual factors for significantly intense reflections	0.195
Weighted residual factors for all reflections included in the refinement	0.2245
Goodness-of-fit parameter for all reflections included in the refinement	0.997
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.3405 Å
Diffraction radiation type	GaKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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