Crystallography Open Database

Information card for entry 7713365

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Coordinates	7713365.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C92 H68 F6 Ir2 N16 P
Calculated formula	C92 H68 F6 Ir2 N16 P
Title of publication	Organometallic Ir(III) complexes: post-synthetic modification, photophysical properties and binuclear complex construction.
Authors of publication	Gitlina, Anastasia Yu; Khistiaeva, Viktoria; Melnikov, Alexey; Ivonina, Mariia; Sizov, Vladimir; Spiridonova, Dar'ya; Makarova, Anna; Vyalikh, Denis; Grachova, Elena
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2023
Journal volume	52
Journal issue	26
Pages of publication	8986 - 8997
a	42.9654 ± 0.0002 Å
b	33.9313 ± 0.0002 Å
c	15.7798 ± 0.0001 Å
α	90°
β	96.768 ± 0.001°
γ	90°
Cell volume	22844.6 ± 0.2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	I 1 2/a 1
Hall space group symbol	-I 2ya
Residual factor for all reflections	0.0359
Residual factor for significantly intense reflections	0.0344
Weighted residual factors for significantly intense reflections	0.0947
Weighted residual factors for all reflections included in the refinement	0.0964
Goodness-of-fit parameter for all reflections included in the refinement	1.046
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
284787 (current)	2023-07-05	cif/ Adding structures of 7713365 via cif-deposit CGI script.	7713365.cif