Crystallography Open Database

Information card for entry 7214650

Preview

Coordinates	7214650.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	(((Co4Cl2(H2O)2(C40H44O4S4))((Co4Cl2(H2O)2 (C40H45O4S4))Cl) (C8H4O4)2
Formula	C96 H105 Cl5 Co8 O20 S8
Calculated formula	C96 H96 Cl5 Co8 O20 S8
Title of publication	Bridging calixarene-based {Co4} units into a square or belt with aromatic dicarboxylic acids
Authors of publication	Liu, Mei; Liao, Wuping
Journal of publication	CrystEngComm
Year of publication	2012
Journal volume	14
Journal issue	18
Pages of publication	5727
a	11.6208 ± 0.0008 Å
b	17.0306 ± 0.0011 Å
c	19.802 ± 0.0013 Å
α	97.985 ± 0.001°
β	99.959 ± 0.001°
γ	101.232 ± 0.001°
Cell volume	3725.1 ± 0.4 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 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 all reflections	0.0856
Residual factor for significantly intense reflections	0.0491
Weighted residual factors for significantly intense reflections	0.1124
Weighted residual factors for all reflections included in the refinement	0.1224
Goodness-of-fit parameter for all reflections included in the refinement	0.879
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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