Crystallography Open Database

Information card for entry 7016787

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Coordinates	7016787.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C72 H118 Co8 O49
Calculated formula	C72 H94 Co8 O49
Title of publication	A tri-layer structure consisting of novel heptacobaltate clusters and single cobalt centers bridged by 5-tert-butyl isophthalate.
Authors of publication	Chen, Li-Juan; Su, Jiang-Bo; Huang, Rong-Bin; Lin, Shen; Yang, Ming-Xing; Huang, Hua
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2011
Journal volume	40
Journal issue	38
Pages of publication	9731 - 9736
a	18.639 Å
b	18.639 Å
c	52.333 ± 0.0004 Å
α	90°
β	90°
γ	120°
Cell volume	15745.3 ± 0.12 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	4
Space group number	148
Hermann-Mauguin space group symbol	R -3 :H
Hall space group symbol	-R 3
Residual factor for all reflections	0.0794
Residual factor for significantly intense reflections	0.0585
Weighted residual factors for significantly intense reflections	0.1862
Weighted residual factors for all reflections included in the refinement	0.2082
Goodness-of-fit parameter for all reflections included in the refinement	1.048
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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