Crystallography Open Database

Information card for entry 7046020

Preview

Coordinates	7046020.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C78 H110 F12 Ir6 N8 O24 S4
Calculated formula	C78 H98 F12 Ir6 N8 O24 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	17.2426 ± 0.001 Å
b	12.2074 ± 0.0007 Å
c	24.909 ± 0.0014 Å
α	90°
β	100.386 ± 0.002°
γ	90°
Cell volume	5157.1 ± 0.5 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	7
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	0.0541
Residual factor for significantly intense reflections	0.043
Weighted residual factors for significantly intense reflections	0.11
Weighted residual factors for all reflections included in the refinement	0.1177
Goodness-of-fit parameter for all reflections included in the refinement	1.039
Diffraction radiation wavelength	1.34138 Å
Diffraction radiation type	GaKα
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.	7046020.cif
207308	2018-04-12	cif/ Adding structures of 7046019, 7046020, 7046021, 7046022, 7046023, 7046024 via cif-deposit CGI script.	7046020.cif