Crystallography Open Database

Information card for entry 7219702

7219701 << 7219702 >> 7219703

Preview

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

Version history

Revision	Date	Message	Files
180528 (current)	2016-03-26	cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/97.	7219702.cif
134920	2015-04-06	cif/ Updating files of 7219701, 7219702, 7219703 Original log message: Adding full bibliography for 7219701--7219703.cif.	7219702.cif
132639	2015-03-03	cif/ Adding structures of 7219701, 7219702, 7219703 via cif-deposit CGI script.	7219702.cif