Crystallography Open Database

Information card for entry 4081922

4081921 << 4081922 >> 4081923

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Coordinates	4081922.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	str1516
Formula	C59 H88 Cl12 Ir4 N8
Calculated formula	C59 H88 Cl12 Ir4 N8
Title of publication	A Tetracyclic Bis(imidazolindiylidene) Ligand and Its Diiridium and Dipalladium Complexes
Authors of publication	Valdés, Hugo; Poyatos, Macarena; Peris, Eduardo
Journal of publication	Organometallics
Year of publication	2013
Journal volume	32
Journal issue	21
Pages of publication	6445
a	15.1391 ± 0.0002 Å
b	15.5045 ± 0.0003 Å
c	31.8334 ± 0.0005 Å
α	90°
β	98.9181 ± 0.0016°
γ	90°
Cell volume	7381.7 ± 0.2 Å³
Cell temperature	200 ± 0.1 K
Ambient diffraction temperature	200 ± 0.1 K
Number of distinct elements	5
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	0.0644
Residual factor for significantly intense reflections	0.05
Weighted residual factors for significantly intense reflections	0.1242
Weighted residual factors for all reflections included in the refinement	0.1376
Goodness-of-fit parameter for all reflections included in the refinement	1.037
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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