Crystallography Open Database

Information card for entry 4302102

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Coordinates	4302102.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C98 H110 Cu6 N12 O25 S3
Calculated formula	C94 H97.6 Cu6 N12 O26.31 S
Title of publication	Synthesis and Characterization of Polynuclear Copper(II) Complexes with Pyridylbis(phenol) Ligands
Authors of publication	Rajendra Shakya; Anna Jozwiuk; Douglas R. Powell; Robert P. Houser
Journal of publication	Inorganic Chemistry
Year of publication	2009
Journal volume	48
Pages of publication	4083 - 4088
a	25.131 ± 0.006 Å
b	16.508 ± 0.004 Å
c	27.977 ± 0.007 Å
α	90°
β	93.645 ± 0.008°
γ	90°
Cell volume	11583 ± 5 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.1029
Residual factor for significantly intense reflections	0.0828
Weighted residual factors for significantly intense reflections	0.2473
Weighted residual factors for all reflections included in the refinement	0.2625
Goodness-of-fit parameter for all reflections included in the refinement	1.076
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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