Crystallography Open Database

Information card for entry 4112045

4112044 << 4112045 >> 4112046

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Coordinates	4112045.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H28 F3 I Ir P
Calculated formula	C17.5 H24 F3 I Ir P
Title of publication	A Simple Route to Difluorocarbene and Perfluoroalkylidene Complexes of Iridium
Authors of publication	Russell P. Hughes; Roman B. Laritchev; Jian Yuan; James A. Golen; Adam N. Rucker; Arnold L. Rheingold
Journal of publication	Journal of the American Chemical Society
Year of publication	2005
Journal volume	127
Pages of publication	15020 - 15021
a	8.1786 ± 0.0005 Å
b	9.1263 ± 0.0005 Å
c	28.1355 ± 0.0017 Å
α	90°
β	91.539 ± 0.001°
γ	90°
Cell volume	2099.3 ± 0.2 Å³
Cell temperature	203 ± 2 K
Ambient diffraction temperature	203 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0409
Residual factor for significantly intense reflections	0.0332
Weighted residual factors for significantly intense reflections	0.0847
Weighted residual factors for all reflections included in the refinement	0.0879
Goodness-of-fit parameter for all reflections included in the refinement	1.012
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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