Crystallography Open Database

Information card for entry 7109675

Preview

Coordinates	7109675.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C101.53 H78 Cd2 Cl4 N16.76 O18.24 S4
Calculated formula	C101.532 H76 Cd2 Cl4 N16.766 O18.234 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	12.6829 ± 0.0008 Å
b	16.4451 ± 0.001 Å
c	25.0185 ± 0.0014 Å
α	94.603 ± 0.001°
β	101.549 ± 0.001°
γ	97.467 ± 0.002°
Cell volume	5038.7 ± 0.5 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1328
Residual factor for significantly intense reflections	0.0582
Weighted residual factors for significantly intense reflections	0.1237
Weighted residual factors for all reflections included in the refinement	0.1518
Goodness-of-fit parameter for all reflections included in the refinement	1.014
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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