Crystallography Open Database

Information card for entry 1556566

Preview

Coordinates	1556566.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C38 H23 F4 Ir N8 O
Calculated formula	C38 H23 F4 Ir N8 O
SMILES	[Ir]123([n]4c(c5c2cc(F)cc5F)cccc4)([n]2c(c4c3cc(F)cc4F)cccc2)[n]2cc[nH]c2c2n1c1c(n2)c2cccnc2c2ncccc12.O
Title of publication	Single-molecule MicroRNA Electrochemiluminescence Detection Using Cyclometalated Dinuclear Ir(III) Complex with Synergistic Effect.
Authors of publication	Gao, Tai-Bao; Zhang, Jing-JIng; Wen, Jing; Yang, Xue-Xiao; Ma, Haibo; Cao, Deng-Ke; Jiang, Dechen
Journal of publication	Analytical chemistry
Year of publication	2019
a	10.273 ± 0.002 Å
b	10.772 ± 0.002 Å
c	29.566 ± 0.006 Å
α	90°
β	96.413 ± 0.007°
γ	90°
Cell volume	3251.3 ± 1.1 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0964
Residual factor for significantly intense reflections	0.0599
Weighted residual factors for significantly intense reflections	0.1314
Weighted residual factors for all reflections included in the refinement	0.1457
Goodness-of-fit parameter for all reflections included in the refinement	1.013
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
245085 (current)	2019-12-14	cif/ Adding structures of 1556566 via cif-deposit CGI script.	1556566.cif