Crystallography Open Database

Information card for entry 7047751

Preview

Coordinates	7047751.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C60 H72 F6 Ir N6 O P S
Calculated formula	C60 H72 F6 Ir N6 O P S
Title of publication	Alkyl chain-modified cyclometalated iridium complexes as tunable anticancer and imaging agents.
Authors of publication	Laha, Paltan; De, Umasankar; Chandra, Falguni; Dehury, Niranjan; Khullar, Sadhika; Kim, Hyung Sik; Patra, Srikanta
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2018
Journal volume	47
Journal issue	44
Pages of publication	15873 - 15881
a	15.2226 ± 0.001 Å
b	21.0932 ± 0.0014 Å
c	18.1419 ± 0.0011 Å
α	90°
β	104.978 ± 0.002°
γ	90°
Cell volume	5627.3 ± 0.6 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	8
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	0.0494
Residual factor for significantly intense reflections	0.0408
Weighted residual factors for significantly intense reflections	0.106
Weighted residual factors for all reflections included in the refinement	0.1144
Goodness-of-fit parameter for all reflections included in the refinement	1.053
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
229287 (current)	2019-11-17	cif/ Updating files of 7047749, 7047750, 7047751 Original log message: Adding full bibliography for 7047749--7047751.cif.	7047751.cif
211435	2018-10-13	cif/ Adding structures of 7047749, 7047750, 7047751 via cif-deposit CGI script.	7047751.cif