Crystallography Open Database

Information card for entry 4317104

Preview

Coordinates	4317104.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H28 Cu2 I2 O4 S2
Calculated formula	C22 H28 Cu2 I2 O4 S2
Title of publication	Hard/Soft Heterometallic Network Complex of a Macrocycle with Endo/Exocyclic Coordination
Authors of publication	Yongnu Jin; Hyun Jee Kim; Jai Young Lee; So Young Lee; Won Joon Shim; Sang Hee Hong; Shim Sung Lee
Journal of publication	Inorganic Chemistry
Year of publication	2010
Journal volume	49
Pages of publication	10241 - 10243
a	25.6184 ± 0.0003 Å
b	13.4358 ± 0.0002 Å
c	16.0851 ± 0.0002 Å
α	90°
β	104.752 ± 0.001°
γ	90°
Cell volume	5354.05 ± 0.12 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	0.0286
Residual factor for significantly intense reflections	0.0244
Weighted residual factors for significantly intense reflections	0.0605
Weighted residual factors for all reflections included in the refinement	0.0629
Goodness-of-fit parameter for all reflections included in the refinement	1.032
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4317104.html