Crystallography Open Database

Information card for entry 7219702

7219701 << 7219702 >> 7219703

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Coordinates	7219702.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C120 H102 Cl6 Cu3 N18 O48
Calculated formula	C120 H102 Cl6 Cu3 N18 O48
Title of publication	New topological 3D copper(ii) coordination networks: catechol oxidation catalysis and solvent adsorption via porous properties
Authors of publication	Kim, Doeon; Kim, Byung Joo; Noh, Tae Hwan; Jung, Ok-Sang
Journal of publication	CrystEngComm
Year of publication	2015
Journal volume	17
Journal issue	12
Pages of publication	2583
a	41.1895 ± 0.0011 Å
b	20.6334 ± 0.0004 Å
c	27.0979 ± 0.0008 Å
α	90°
β	129.772 ± 0.003°
γ	90°
Cell volume	17700.7 ± 1.1 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	0.1775
Residual factor for significantly intense reflections	0.0942
Weighted residual factors for significantly intense reflections	0.2682
Weighted residual factors for all reflections included in the refinement	0.2965
Goodness-of-fit parameter for all reflections included in the refinement	0.951
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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