Crystallography Open Database

Information card for entry 4082485

Preview

Coordinates	4082485.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C107 H39.5 Cl4.5 F6 Ir Li O P3
Calculated formula	C107 H39.5 Cl4.5 F6 Ir Li O P3
Title of publication	Iridium and Platinum Complexes of Li+@C60
Authors of publication	Watanabe, Takahito; Itoh, Masato F.; Komuro, Takashi; Okada, Hiroshi; Sakai, Takeshi; Ono, Yoshihiro; Kawachi, Kazuhiko; Kasama, Yasuhiko; Tobita, Hiromi
Journal of publication	Organometallics
Year of publication	2014
Journal volume	33
Journal issue	3
Pages of publication	608
a	13.8737 ± 0.0004 Å
b	16.1595 ± 0.0005 Å
c	17.8143 ± 0.0005 Å
α	115.11 ± 0.0013°
β	90.2211 ± 0.0014°
γ	98.3385 ± 0.0017°
Cell volume	3568.6 ± 0.19 Å³
Cell temperature	140 ± 2 K
Ambient diffraction temperature	140 ± 2 K
Number of distinct elements	8
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0546
Residual factor for significantly intense reflections	0.0439
Weighted residual factors for significantly intense reflections	0.1104
Weighted residual factors for all reflections included in the refinement	0.1226
Goodness-of-fit parameter for all reflections included in the refinement	1.21
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4082485.cif
104420	2014-03-11	cif/ Adding structures of 4082485, 4082486 via cif-deposit CGI script.	4082485.cif