Crystallography Open Database

Information card for entry 4115834

Preview

Coordinates	4115834.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H69.5 F3 Ir2 N4 O6.25 P2 S
Calculated formula	C40 H57 F3 Ir2 N4 O6.25 P2 S
Title of publication	Transmission of Trans Effects in Dinuclear Complexes
Authors of publication	Eduardo Sola; Francisco Torres; M. Victoria Jiménez; Jose A. López; Silvia E. Ruiz; Fernando J. Lahoz; Anabel Elduque; Luis A. Oro
Journal of publication	Journal of the American Chemical Society
Year of publication	2001
Journal volume	123
Pages of publication	11925 - 11932
a	11.8839 ± 0.0008 Å
b	19.9638 ± 0.0013 Å
c	20.7764 ± 0.0013 Å
α	90°
β	91.4 ± 0.001°
γ	90°
Cell volume	4927.7 ± 0.6 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	8
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	0.0848
Residual factor for significantly intense reflections	0.0462
Weighted residual factors for significantly intense reflections	0.0874
Weighted residual factors for all reflections included in the refinement	0.0926
Goodness-of-fit parameter for all reflections included in the refinement	0.992
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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