Crystallography Open Database

Information card for entry 4110481

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Coordinates	4110481.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C103 H106 Cl8 Mo4 N12 O17
Calculated formula	C103 H90 Cl8 Mo4 N12 O17
Title of publication	Uniquely Strong Electronic Communication between [Mo2] Units Linked by Dioxolene Dianions
Authors of publication	F. Albert Cotton; Carlos A. Murillo; Dino Villagrán; Rongmin Yu
Journal of publication	Journal of the American Chemical Society
Year of publication	2006
Journal volume	128
Pages of publication	3281 - 3290
a	12.964 ± 0.002 Å
b	25.107 ± 0.004 Å
c	17.187 ± 0.003 Å
α	90°
β	103.35 ± 0.003°
γ	90°
Cell volume	5443 ± 1.5 Å³
Cell temperature	213 ± 2 K
Ambient diffraction temperature	213 ± 2 K
Number of distinct elements	6
Space group number	11
Hermann-Mauguin space group symbol	P 1 21/m 1
Hall space group symbol	-P 2yb
Residual factor for all reflections	0.0842
Residual factor for significantly intense reflections	0.057
Weighted residual factors for significantly intense reflections	0.1478
Weighted residual factors for all reflections included in the refinement	0.1694
Goodness-of-fit parameter for all reflections included in the refinement	1.041
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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