Crystallography Open Database

Information card for entry 1515691

Preview

Coordinates	1515691.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C60 H41 B Cl2 F30 Pt3
Calculated formula	C60 H41 B Cl2 F30 Pt3
SMILES	[Pt]12345([Pt]6789%10([Pt]%11%12%131(C1[CH]7=[CH]6C=[CH]3[CH]2=[CH]%111)(C1[CH]9=[CH]8[CH]5=[CH]4C=[CH]%121)[CH2]=[CH2]%13)[CH2]=[CH2]%10)c1cc(cc(c1)C(F)(F)F)C(F)(F)F.ClCCCl.FC(F)(F)c1cc(cc(c1)C(F)(F)F)[B-](c1cc(cc(c1)C(F)(F)F)C(F)(F)F)(c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
Title of publication	Metallocenoids of platinum: Syntheses and structures of triangular triplatinum sandwich complexes of cycloheptatrienyl
Authors of publication	Murahashi, Tetsuro; Usui, Kentaro; Inoue, Ryou; Ogoshi, Sensuke; Kurosawa, Hideo
Journal of publication	Chemical Science
Year of publication	2011
Journal volume	2
Journal issue	1
Pages of publication	117
a	12.3189 ± 0.0005 Å
b	15.2911 ± 0.0006 Å
c	16.4704 ± 0.0005 Å
α	97.219 ± 0.001°
β	90.674 ± 0.001°
γ	105.503 ± 0.001°
Cell volume	2962.6 ± 0.19 Å³
Cell temperature	123.2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for significantly intense reflections	0.0561
Weighted residual factors for all reflections included in the refinement	0.1575
Goodness-of-fit parameter for all reflections included in the refinement	0.988
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176435 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries from ranges 1, 2.	1515691.cif
111905	2014-04-28	cif/ Adding structures of 1515688, 1515689, 1515690, 1515691, 1515692 via cif-deposit CGI script.	1515691.cif