Crystallography Open Database

Information card for entry 7015216

Preview

Coordinates	7015216.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C92 H96 F12 Ir4 N8 O12 S4
Calculated formula	C92 H96 F12 Ir4 N8 O12 S4
Title of publication	Bis-imine-cyclometalated macrocycles: synthesis, characterization and observation of solution behaviour.
Authors of publication	Li, Hao; Han, Ying-Feng; Jin, Guo-Xin
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2011
Journal volume	40
Journal issue	18
Pages of publication	4982 - 4993
a	33.826 ± 0.015 Å
b	18.632 ± 0.008 Å
c	19.427 ± 0.009 Å
α	90°
β	109.08 ± 0.007°
γ	90°
Cell volume	11571 ± 9 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	7
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.1173
Residual factor for significantly intense reflections	0.0544
Weighted residual factors for significantly intense reflections	0.1144
Weighted residual factors for all reflections included in the refinement	0.1275
Goodness-of-fit parameter for all reflections included in the refinement	0.758
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7015216.html