Crystallography Open Database

Information card for entry 7055321

Preview

Coordinates	7055321.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C56 H75 Co6 N5 Na2 O39
Calculated formula	C56 H75 Co6 N5 Na2 O39
Title of publication	Cluster- and chain-based magnetic MOFs derived from 3d metal ions and 1,3,5-benzenetricarboxylate
Authors of publication	Liu, Sui-Jun; Han, Song-De; Chang, Ze; Bu, Xian-He
Journal of publication	New J. Chem.
Year of publication	2016
Journal volume	40
Journal issue	3
Pages of publication	2680
a	18.1249 ± 0.0007 Å
b	12.1064 ± 0.0005 Å
c	17.7333 ± 0.0007 Å
α	90°
β	107.301 ± 0.001°
γ	90°
Cell volume	3715.1 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293.2 K
Number of distinct elements	6
Space group number	5
Hermann-Mauguin space group symbol	C 1 2 1
Hall space group symbol	C 2y
Residual factor for all reflections	0.0902
Residual factor for significantly intense reflections	0.074
Weighted residual factors for significantly intense reflections	0.1756
Weighted residual factors for all reflections included in the refinement	0.188
Goodness-of-fit parameter for all reflections included in the refinement	1.073
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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