Crystallography Open Database

Information card for entry 7107353

Preview

Coordinates	7107353.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C73 H60 Br8 Hg4 N16 O9
Calculated formula	C73 H60 Br8 Hg4 N16 O9
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	10.2403 ± 0.0003 Å
b	11.547 ± 0.0003 Å
c	17.2774 ± 0.0004 Å
α	98.323 ± 0.002°
β	95.234 ± 0.002°
γ	95.764 ± 0.002°
Cell volume	1999.58 ± 0.09 Å³
Cell temperature	120 K
Ambient diffraction temperature	120 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0344
Residual factor for significantly intense reflections	0.0245
Weighted residual factors for significantly intense reflections	0.0499
Weighted residual factors for all reflections included in the refinement	0.0528
Goodness-of-fit parameter for all reflections included in the refinement	1.027
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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