Crystallography Open Database

Information card for entry 7707116

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Coordinates	7707116.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C935 H1283 Cl16 Co64 N87 O167 S64
Calculated formula	C749 H846 Cl16 Co64 N41 O167 S64
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	65.4426 ± 0.0005 Å
b	35.1245 ± 0.0003 Å
c	59.0133 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	135650 ± 1.9 Å³
Cell temperature	110 ± 2 K
Ambient diffraction temperature	110.6 ± 0.4 K
Number of distinct elements	7
Space group number	29
Hermann-Mauguin space group symbol	P c a 21
Hall space group symbol	P 2c -2ac
Residual factor for all reflections	0.1551
Residual factor for significantly intense reflections	0.1037
Weighted residual factors for significantly intense reflections	0.2768
Weighted residual factors for all reflections included in the refinement	0.302
Goodness-of-fit parameter for all reflections included in the refinement	0.954
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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