Crystallography Open Database

Information card for entry 7118501

Preview

Coordinates	7118501.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C67 H75 B F5 Ir2 N4 O9 S
Calculated formula	C67 H75 B F5 Ir2 N4 O9 S
Title of publication	Novel BODIPY-based Ru(ii) and Ir(iii) metalla-rectangles: cellular localization of compounds and their antiproliferative activities.
Authors of publication	Gupta, Gajendra; Das, Abhishek; Ghate, Nikhil Baban; Kim, Takhyeon; Ryu, Ji Yeon; Lee, Junseong; Mandal, Nripendranath; Lee, Chang Yeon
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2016
Journal volume	52
Journal issue	23
Pages of publication	4274 - 4277
a	20.4184 ± 0.0009 Å
b	19.7746 ± 0.0009 Å
c	20.8298 ± 0.0009 Å
α	90°
β	113.735 ± 0.002°
γ	90°
Cell volume	7699 ± 0.6 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 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	0.1262
Residual factor for significantly intense reflections	0.0851
Weighted residual factors for significantly intense reflections	0.2121
Weighted residual factors for all reflections included in the refinement	0.2347
Goodness-of-fit parameter for all reflections included in the refinement	1.054
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
181571 (current)	2016-04-05	cif/ Updating files of 7118499, 7118500, 7118501 Original log message: Adding full bibliography for 7118499--7118501.cif.	7118501.cif
174636	2016-01-21	cif/ Adding structures of 7118499, 7118500, 7118501 via cif-deposit CGI script.	7118501.cif