Crystallography Open Database

Information card for entry 7106691

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Coordinates	7106691.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C116 H106 Cl6 Cu3 N14 O6
Calculated formula	C90 H64 Cl6 Cu3 N8
Title of publication	A tetrapyridine ligand with a rigid tetrahedral core forms metalorganic frameworks with PtS type architecture
Authors of publication	Christopher; B.; Caputo,; V.; Nicholas; Vukotic,; Natalie; M.; Sirizzotti; and; Stephen; J.; Loeb; Christopher Caputo; V. Nicholas Vukotic; Natalie Sirizzotti; Stephen Loeb
Journal of publication	Chem.Commun.
Year of publication	2011
Journal volume	47
Pages of publication	8545
a	23.308 ± 0.012 Å
b	13.967 ± 0.007 Å
c	32.201 ± 0.017 Å
α	90°
β	106.519 ± 0.009°
γ	90°
Cell volume	10050 ± 9 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.2889
Residual factor for significantly intense reflections	0.0779
Weighted residual factors for significantly intense reflections	0.1703
Weighted residual factors for all reflections included in the refinement	0.2296
Goodness-of-fit parameter for all reflections included in the refinement	0.737
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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