Crystallography Open Database

Information card for entry 7046024

Preview

Coordinates	7046024.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C87 H125 F12 Ir6 N7 O29 S4
Calculated formula	C82.5 H101 F12 Ir6 N7 O23 S4
Title of publication	Controllable assembly of rectangular macrocycles bearing different numbers of unsaturated sites based on half-sandwich iridium fragments.
Authors of publication	Dang, Li-Long; Lin, Yue-Jian; Jin, Guo-Xin
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2018
Journal volume	47
Journal issue	18
Pages of publication	6378 - 6385
a	17.8224 ± 0.0019 Å
b	21.279 ± 0.002 Å
c	29.878 ± 0.003 Å
α	71.018 ± 0.002°
β	84.763 ± 0.002°
γ	88.326 ± 0.002°
Cell volume	10670.1 ± 1.9 Å³
Cell temperature	203 ± 2 K
Ambient diffraction temperature	203 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1207
Residual factor for significantly intense reflections	0.0721
Weighted residual factors for significantly intense reflections	0.2016
Weighted residual factors for all reflections included in the refinement	0.2637
Goodness-of-fit parameter for all reflections included in the refinement	1.029
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
229875 (current)	2019-11-17	cif/ Updating files of 7046019, 7046020, 7046021, 7046022, 7046023, 7046024 Original log message: Adding full bibliography for 7046019--7046024.cif.	7046024.cif
207308	2018-04-12	cif/ Adding structures of 7046019, 7046020, 7046021, 7046022, 7046023, 7046024 via cif-deposit CGI script.	7046024.cif