Crystallography Open Database

Information card for entry 4120670

4120669 << 4120670 >> 4120671

Preview

Coordinates	4120670.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C148 H172 Ag2 Cu4 F30 Ir8 N16 O62 S10
Calculated formula	C146 H152 Ag2 Cu4 F24 Ir8 N16 O56 S8
Title of publication	Stepwise Construction of Discrete Heterometallic Coordination Cages Based on Self-Sorting Strategy.
Authors of publication	Li, Hao; Han, Ying-Feng; Lin, Yue-Jian; Guo, Zi-Wei; Jin, Guo-Xin
Journal of publication	Journal of the American Chemical Society
Year of publication	2014
Journal volume	136
Journal issue	8
Pages of publication	2982
a	29.4297 ± 0.0007 Å
b	24.1596 ± 0.0006 Å
c	31.8628 ± 0.0009 Å
α	90°
β	90°
γ	90°
Cell volume	22654.8 ± 1 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	9
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.1009
Residual factor for significantly intense reflections	0.0728
Weighted residual factors for significantly intense reflections	0.1942
Weighted residual factors for all reflections included in the refinement	0.2109
Goodness-of-fit parameter for all reflections included in the refinement	1.065
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
178983 (current)	2016-03-22	cif/4/12/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/12/06.	4120670.cif
106659	2014-03-15	cif/ Adding structures of 4120668, 4120669, 4120670, 4120671, 4120672 via cif-deposit CGI script.	4120670.cif