Crystallography Open Database

Information card for entry 4325787

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Coordinates	4325787.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C72 H58 Co3 N6 O28 S6
Calculated formula	C72 H58 Co3 N6 O28 S6
Title of publication	Semirigid Aromatic Sulfone-Carboxylate Molecule for Dynamic Coordination Networks: Multiple Substitutions of the Ancillary Ligands
Authors of publication	Xiao-Ping Zhou; Zhengtao Xu; Matthias Zeller; Allen D. Hunter; Stephen Sin-Yin Chui; Chi-Ming Che
Journal of publication	Inorganic Chemistry
Year of publication	2011
Journal volume	50
Pages of publication	7142 - 7149
a	9.0481 ± 0.0005 Å
b	13.1372 ± 0.0005 Å
c	17.893 ± 0.0006 Å
α	106.486 ± 0.003°
β	94.182 ± 0.004°
γ	95.349 ± 0.004°
Cell volume	2019.53 ± 0.16 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.1168
Residual factor for significantly intense reflections	0.0561
Weighted residual factors for significantly intense reflections	0.1319
Weighted residual factors for all reflections included in the refinement	0.1466
Goodness-of-fit parameter for all reflections included in the refinement	0.971
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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