Crystallography Open Database

Information card for entry 7703006

Preview

Coordinates	7703006.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H24 Cu N2 O9 S2
Calculated formula	C20 H24 Cu N2 O9 S2
Title of publication	Formation of a four-bladed waterwheel-type chloro-bridged dicopper(ii) complex with dithiamacrocycle via double exo-coordination.
Authors of publication	Kim, Seulgi; Park, In-Hyeok; Choi, Han-Byeol; Ju, Huiyeong; Lee, Eunji; Herng, Tun Seng; Ding, Jun; Jung, Jong Hwa; Lee, Shim Sung
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2020
Journal volume	49
Journal issue	5
Pages of publication	1365 - 1369
a	17.2239 ± 0.0002 Å
b	13.0421 ± 0.0002 Å
c	20.8189 ± 0.0003 Å
α	90°
β	90.679 ± 0.001°
γ	90°
Cell volume	4676.34 ± 0.11 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	0.0737
Residual factor for significantly intense reflections	0.0423
Weighted residual factors for significantly intense reflections	0.0816
Weighted residual factors for all reflections included in the refinement	0.0915
Goodness-of-fit parameter for all reflections included in the refinement	1.034
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
248938 (current)	2020-03-05	cif/ Updating files of 7703003, 7703004, 7703005, 7703006 Original log message: Adding full bibliography for 7703003--7703006.cif.	7703006.cif
245368	2019-12-19	cif/ Adding structures of 7703003, 7703004, 7703005, 7703006 via cif-deposit CGI script.	7703006.cif