Crystallography Open Database

Information card for entry 7109679

Preview

Coordinates	7109679.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C95.95 H60.51 Cd2 Cl7 N6.95 O18.95 S4
Calculated formula	C95.474 H57 Cd2 Cl7 N6.474 O18 S4
Title of publication	Steric control of the formation of dinuclear double helicate and dinuclear meso-helicate assemblies
Authors of publication	David J. Cooke; Jasmine M. Cross; Rebecca V. Fennessy; Lindsay P. Harding; Craig R. Rice; Christopher Slater
Journal of publication	Chem.Commun.
Year of publication	2013
Journal volume	49
Pages of publication	7785
a	47.3227 ± 0.0017 Å
b	21.8469 ± 0.0008 Å
c	17.048 ± 0.0006 Å
α	90°
β	90°
γ	90°
Cell volume	17625.1 ± 1.1 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	7
Space group number	64
Hermann-Mauguin space group symbol	C m c a
Hall space group symbol	-C 2ac 2
Residual factor for all reflections	0.0901
Residual factor for significantly intense reflections	0.0546
Weighted residual factors for significantly intense reflections	0.1451
Weighted residual factors for all reflections included in the refinement	0.1674
Goodness-of-fit parameter for all reflections included in the refinement	1.046
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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