Crystallography Open Database

Information card for entry 7062241

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Coordinates	7062241.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H21 F12 Ir N10 P2
Calculated formula	C30 H21 F12 Ir N10 P2
Title of publication	Unprecedented Ir(iii) cationic complexes based on tridentate tetrazolate ligands: synthesis, photophysics and encapsulation in SiO2 nanoparticles
Authors of publication	Troya, José; Quesada-Moreno, María Mar; Jiménez, Juan-Ramón; Herrera, Juan Manuel
Journal of publication	New Journal of Chemistry
Year of publication	2023
Journal volume	47
Journal issue	9
Pages of publication	4577 - 4585
a	13.636 ± 0.0005 Å
b	11.6774 ± 0.0004 Å
c	20.3107 ± 0.0007 Å
α	90°
β	91.2258 ± 0.0012°
γ	90°
Cell volume	3233.4 ± 0.2 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 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	0.032
Residual factor for significantly intense reflections	0.0241
Weighted residual factors for significantly intense reflections	0.0513
Weighted residual factors for all reflections included in the refinement	0.0542
Goodness-of-fit parameter for all reflections included in the refinement	1.175
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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