Crystallography Open Database

Information card for entry 7127776

Preview

Coordinates	7127776.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H22 F10 Ir N7 P2
Calculated formula	C26 H22 F10 Ir N7 P
SMILES	c1(cc(c2c(c1)[Ir]13(c4cc(cc(c4c4cccc[n]14)F)F)([n]1c2cccc1)[NH]=C(N=C(N)N3)N(C)C)F)F.[P](F)(F)(F)(F)(F)[F-]
Title of publication	The design of cyclometalated iridium(iii)-metformin complexes for hypoxic cancer treatment.
Authors of publication	Yang, Jing; Fang, Hao-Ji; Cao, Qian; Mao, Zong-Wan
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2021
Journal volume	57
Journal issue	9
Pages of publication	1093 - 1096
a	42.2108 ± 0.0009 Å
b	42.2108 ± 0.0009 Å
c	9.038 ± 0.0003 Å
α	90°
β	90°
γ	120°
Cell volume	13946 ± 0.6 Å³
Cell temperature	150 ± 0.1 K
Ambient diffraction temperature	150 ± 0.1 K
Number of distinct elements	6
Space group number	148
Hermann-Mauguin space group symbol	R -3 :H
Hall space group symbol	-R 3
Residual factor for all reflections	0.0811
Residual factor for significantly intense reflections	0.0654
Weighted residual factors for significantly intense reflections	0.1534
Weighted residual factors for all reflections included in the refinement	0.164
Goodness-of-fit parameter for all reflections included in the refinement	1.012
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
298703 (current)	2025-04-03	cif/7: Fixing Z values and formulae	7127776.cif
261562	2021-02-05	cif/ Updating files of 7127776 Original log message: Adding full bibliography for 7127776.cif.	7127776.cif
260544	2021-01-06	cif/ Adding structures of 7127776 via cif-deposit CGI script.	7127776.cif