Crystallography Open Database

Information card for entry 4306317

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Coordinates	4306317.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H25 Cl2 F6 Ir N7 P
Calculated formula	C30 H25 Cl2 F6 Ir N7 P
Title of publication	Essential Role of the Ancillary Ligand in the Color Tuning of Iridium Tetrazolate Complexes
Authors of publication	Stefano Stagni; Silvia Colella; Antonio Palazzi; Giovanni Valenti; Stefano Zacchini; Francesco Paolucci; Massimo Marcaccio; Rodrigo Q. Albuquerque; Luisa De Cola
Journal of publication	Inorganic Chemistry
Year of publication	2008
Journal volume	47
Pages of publication	10509 - 10521
a	15.1265 ± 0.0009 Å
b	13.3577 ± 0.0008 Å
c	17.596 ± 0.001 Å
α	90°
β	111.065 ± 0.001°
γ	90°
Cell volume	3317.8 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	7
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	0.0423
Residual factor for significantly intense reflections	0.0335
Weighted residual factors for significantly intense reflections	0.0927
Weighted residual factors for all reflections included in the refinement	0.1004
Goodness-of-fit parameter for all reflections included in the refinement	1.038
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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