Crystallography Open Database

Information card for entry 4114597

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Coordinates	4114597.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C45 H90 Ir2 N6 P2
Calculated formula	C45 H64 Ir2 N6 P2
Title of publication	Sequential C-H Activation and Dinuclear Insertion of Ethylene Promoted by a Diiridium Complex
Authors of publication	Yaofeng Yuan; M. Victoria Jiménez; Eduardo Sola; Fernando J. Lahoz; Luis A. Oro
Journal of publication	Journal of the American Chemical Society
Year of publication	2002
Journal volume	124
Pages of publication	752 - 753
a	12.3141 ± 0.0009 Å
b	12.4948 ± 0.0008 Å
c	18.1104 ± 0.0012 Å
α	98.255 ± 0.001°
β	97.966 ± 0.001°
γ	115.247 ± 0.001°
Cell volume	2431.3 ± 0.3 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0967
Residual factor for significantly intense reflections	0.0598
Weighted residual factors for significantly intense reflections	0.1176
Weighted residual factors for all reflections included in the refinement	0.1282
Goodness-of-fit parameter for all reflections included in the refinement	0.937
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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