Crystallography Open Database

Information card for entry 7703004

Preview

Coordinates	7703004.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C84 H112 Cl2 Cu2 N2 O26 S8
Calculated formula	C84 H112 Cl2 Cu2 N2 O26 S8
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	16.627 ± 0.009 Å
b	16.627 ± 0.009 Å
c	19.05 ± 0.01 Å
α	90°
β	90°
γ	90°
Cell volume	5267 ± 5 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	7
Space group number	87
Hermann-Mauguin space group symbol	I 4/m
Hall space group symbol	-I 4
Residual factor for all reflections	0.1124
Residual factor for significantly intense reflections	0.0696
Weighted residual factors for significantly intense reflections	0.1995
Weighted residual factors for all reflections included in the refinement	0.2234
Goodness-of-fit parameter for all reflections included in the refinement	1.045
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
248938 (current)	2020-03-05	cif/ Updating files of 7703003, 7703004, 7703005, 7703006 Original log message: Adding full bibliography for 7703003--7703006.cif.	7703004.cif
245368	2019-12-19	cif/ Adding structures of 7703003, 7703004, 7703005, 7703006 via cif-deposit CGI script.	7703004.cif