Crystallography Open Database

Information card for entry 4120672

4120671 << 4120672 >> 4120673

Preview

Coordinates	4120672.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C162 H206 Ag2 F30 Ir8 N18 O66 S10 Zn4
Calculated formula	C162 H158 Ag2 F30 Ir8 N18 O66 S10 Zn4
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	15.892 ± 0.004 Å
b	32.88 ± 0.008 Å
c	20.486 ± 0.005 Å
α	90°
β	94.06 ± 0.005°
γ	90°
Cell volume	10678 ± 5 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	9
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.113
Residual factor for significantly intense reflections	0.0605
Weighted residual factors for significantly intense reflections	0.1517
Weighted residual factors for all reflections included in the refinement	0.1779
Goodness-of-fit parameter for all reflections included in the refinement	1.007
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
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.	4120672.cif
106659	2014-03-15	cif/ Adding structures of 4120668, 4120669, 4120670, 4120671, 4120672 via cif-deposit CGI script.	4120672.cif