Crystallography Open Database

Information card for entry 7052328

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Coordinates	7052328.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H24 Cu F6 N8 O4.5 Si
Calculated formula	C22 H24 Cu F6 N8 O4.5 Si
Title of publication	Exploring conformationally flexible hydrogen-bond-functionalized ligand and counter anions in metal?organic frameworks of Cu(ii)
Authors of publication	Krishna Kumar, D.; Das, Amitava; Dastidar, Parthasarathi
Journal of publication	New Journal of Chemistry
Year of publication	2006
Journal volume	30
Journal issue	9
Pages of publication	1267
a	21.2107 ± 0.0014 Å
b	17.9344 ± 0.0012 Å
c	17.5455 ± 0.0012 Å
α	90°
β	104.877 ± 0.001°
γ	90°
Cell volume	6450.6 ± 0.8 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
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	0.0442
Residual factor for significantly intense reflections	0.0403
Weighted residual factors for significantly intense reflections	0.1124
Weighted residual factors for all reflections included in the refinement	0.1162
Goodness-of-fit parameter for all reflections included in the refinement	1.064
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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