Crystallography Open Database

Information card for entry 4113390

Preview

Coordinates	4113390.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C81 H72 Cl2 F12 N10 O2 Pt3 Sb2
Calculated formula	C81 H72 Cl2 F12 N10 O2 Pt3 Sb2
SMILES	c1cccc2c3cc(cc4c5cccc[n]5[Pt](Cl)([n]34)[n]12)c1cc2c(cc1)CCc1c2nc2c(c1c1cc(cc(c1)C(C)(C)C)C(C)(C)C)CCc1c2cc(cc1)c1cc2c3cccc[n]3[Pt]3(Cl)[n]4c(cccc4)c(c1)[n]23.c12ccccc1[N]1=Cc3c(cccc3)O[Pt]1(O2)[NH3].C(#N)CC.F[Sb](F)(F)(F)([F-])F.F[Sb](F)(F)(F)([F-])F
Title of publication	Supramolecular Recognition. Terpyridyl Palladium and Platinum Molecular Clefts and Their Association with Planar Platinum Complexes
Authors of publication	Andrew J. Goshe; Ian M. Steele; B. Bosnich
Journal of publication	Journal of the American Chemical Society
Year of publication	2003
Journal volume	125
Pages of publication	444 - 451
a	10.5 ± 0.002 Å
b	19.809 ± 0.004 Å
c	21.842 ± 0.004 Å
α	98.52 ± 0.03°
β	96.69 ± 0.03°
γ	102.7 ± 0.03°
Cell volume	4330.3 ± 1.7 Å³
Cell temperature	110 ± 5 K
Ambient diffraction temperature	110 ± 5 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	0.0766
Residual factor for significantly intense reflections	0.0556
Weighted residual factors for significantly intense reflections	0.1455
Weighted residual factors for all reflections included in the refinement	0.165
Goodness-of-fit parameter for all reflections included in the refinement	1.041
Diffraction radiation wavelength	0.72588 Å
Diffraction radiation type	monochromatic
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
178904 (current)	2016-03-22	cif/4/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/11/33.	4113390.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4113390.cif
66622	2012-09-12	cif/ Adding structures of 4113390 via cif-deposit CGI script.	4113390.cif