Crystallography Open Database

Information card for entry 4085613

Preview

Coordinates	4085613.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C243 H286 B3 Cl6 F12 Ir3 O12 P6
Calculated formula	C243 H286 B3 Cl6 F12 Ir3 O12 P6
Title of publication	Iridium(I) and Rhodium(I) Cationic Complexes with Triphosphinocalix[6]arene Ligands: Dynamic Motion with Size-Selective Molecular Encapsulation
Authors of publication	Obora, Yasushi; Liu, Yun Kui; Jiang, Li Hong; Takenaka, Kazuhiro; Tokunaga, Makoto; Tsuji, Yasushi
Journal of publication	Organometallics
Year of publication	2005
Journal volume	24
Journal issue	1
Pages of publication	4 - 6
a	33.75 ± 0.011 Å
b	20.155 ± 0.006 Å
c	20.504 ± 0.007 Å
α	90°
β	117.045 ± 0.003°
γ	90°
Cell volume	12422 ± 7 Å³
Cell temperature	293.1 K
Number of distinct elements	8
Space group number	5
Hermann-Mauguin space group symbol	C 1 2 1
Hall space group symbol	C 2y
Residual factor for significantly intense reflections	0.062
Weighted residual factors for all reflections included in the refinement	0.076
Goodness-of-fit parameter for all reflections included in the refinement	1.505
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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