Crystallography Open Database

Information card for entry 7107350

Preview

Coordinates	7107350.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36.6 H28 Cl4 Hg2 N8 O4 S1.2
Calculated formula	C36.6 H28 Cl4 Hg2 N8 O4 S1.2
Title of publication	Supramolecular isomerism of a metallocyclic dipyridyldiamide ligand metal halide system generating isostructural (Hg, Co and Zn) porous materials
Authors of publication	Christopher D. Jones; Jin Chong Tan; Gareth O. Lloyd
Journal of publication	Chem.Commun.
Year of publication	2012
Journal volume	48
Pages of publication	2110
a	7.4559 ± 0.0002 Å
b	11.6141 ± 0.0002 Å
c	24.2824 ± 0.0005 Å
α	90°
β	96.263 ± 0.002°
γ	90°
Cell volume	2090.15 ± 0.08 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0381
Residual factor for significantly intense reflections	0.0362
Weighted residual factors for significantly intense reflections	0.1078
Weighted residual factors for all reflections included in the refinement	0.1094
Goodness-of-fit parameter for all reflections included in the refinement	1.194
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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