Crystallography Open Database

Information card for entry 4315866

Preview

Coordinates	4315866.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C84 H79 Co3 N34 O5.5
Calculated formula	C84 H79 Co3 N34 O5.5
Title of publication	DMF/H2O Volume Ratio Controls the Syntheses and Transformations of a Series of Cobalt Complexes Constructed Using a Rigid Angular Multitopic Ligand
Authors of publication	Ai-Yun Fu; Yu-Lin Jiang; Yao-Yu Wang; Xiao-Nan Gao; Guo-Ping Yang; Lei Hou; Qi-Zhen Shi
Journal of publication	Inorganic Chemistry
Year of publication	2010
Journal volume	49
Pages of publication	5495 - 5502
a	9.1985 ± 0.0009 Å
b	15.9576 ± 0.0015 Å
c	16.0966 ± 0.0016 Å
α	73.171 ± 0.001°
β	74.44 ± 0.001°
γ	76.392 ± 0.002°
Cell volume	2146.6 ± 0.4 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1133
Residual factor for significantly intense reflections	0.0611
Weighted residual factors for significantly intense reflections	0.1599
Weighted residual factors for all reflections included in the refinement	0.1925
Goodness-of-fit parameter for all reflections included in the refinement	1.01
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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