Crystallography Open Database

Information card for entry 7250658

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Coordinates	7250658.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C29 H21 F4 Ir N4 O2
Calculated formula	C29 H21 F4 Ir N4 O2
Title of publication	Anticancer efficacy of bis-heteroleptic iridium(iii) complexes with difluoro-substituted phenylpyridine ligands
Authors of publication	Behera, Suvasmita; Pradhan, Kahnu Charan; Barik, Sahadev; Sarkar, Moloy; Kumar, Jagadish; Dandapat, Jagneshwar; Pradhan, Jyotsnarani; Pal, Satyanarayan
Journal of publication	RSC Advances
Year of publication	2025
Journal volume	15
Journal issue	28
Pages of publication	22875 - 22888
a	31.3021 ± 0.0007 Å
b	10.513 ± 0.0003 Å
c	15.6391 ± 0.0004 Å
α	90°
β	90.53 ± 0.002°
γ	90°
Cell volume	5146.3 ± 0.2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
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	0.0351
Residual factor for significantly intense reflections	0.0338
Weighted residual factors for significantly intense reflections	0.0888
Weighted residual factors for all reflections included in the refinement	0.0899
Goodness-of-fit parameter for all reflections included in the refinement	1.063
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
300355 (current)	2025-07-05	cif/ Adding structures of 7250658, 7250659 via cif-deposit CGI script.	7250658.cif