Crystallography Open Database

Information card for entry 7046019

Preview

Coordinates	7046019.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C35 H51 Cl6 Ir3 N4
Calculated formula	C34 H49 Cl4 Ir3 N4
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	11.7964 ± 0.001 Å
b	14.234 ± 0.002 Å
c	14.7093 ± 0.0012 Å
α	106.465 ± 0.002°
β	111.035 ± 0.001°
γ	104.122 ± 0.002°
Cell volume	2039.2 ± 0.4 Å³
Cell temperature	203 ± 2 K
Ambient diffraction temperature	203 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0567
Residual factor for significantly intense reflections	0.0431
Weighted residual factors for significantly intense reflections	0.1559
Weighted residual factors for all reflections included in the refinement	0.2022
Goodness-of-fit parameter for all reflections included in the refinement	1.1
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
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.	7046019.cif
207308	2018-04-12	cif/ Adding structures of 7046019, 7046020, 7046021, 7046022, 7046023, 7046024 via cif-deposit CGI script.	7046019.cif