Crystallography Open Database

Information card for entry 4084834

Preview

Coordinates	4084834.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C150.5 H126.5 Cl1.5 F10 N2 O4 P4 Pt2
Calculated formula	C150.5 H126.5 Cl1.5 F10 N2 O4 P4 Pt2
Title of publication	Rotaxanes Derived from Dimetallic Polyynediyl Complexes: Extended Axles and Expanded Macrocycles
Authors of publication	Baranová, Zuzana; Amini, Hashem; Bhuvanesh, Nattamai; Gladysz, John A.
Journal of publication	Organometallics
Year of publication	2014
Journal volume	33
Journal issue	23
Pages of publication	6746
a	12.601 ± 0.003 Å
b	20.408 ± 0.004 Å
c	26.978 ± 0.005 Å
α	92.508 ± 0.003°
β	96.172 ± 0.003°
γ	107.174 ± 0.003°
Cell volume	6569 ± 2 Å³
Cell temperature	100.15 K
Ambient diffraction temperature	100.15 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	0.0337
Residual factor for significantly intense reflections	0.0275
Weighted residual factors for significantly intense reflections	0.0595
Weighted residual factors for all reflections included in the refinement	0.0617
Goodness-of-fit parameter for all reflections included in the refinement	1.093
Diffraction radiation wavelength	0.6889 Å
Diffraction radiation type	synchrotron
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.	4084834.cif
131493	2015-02-08	cif/ Updating files of 4084834, 4084835 Original log message: Adding full bibliography for 4084834--4084835.cif.	4084834.cif
127755	2014-11-21	cif/ Adding structures of 4084834, 4084835 via cif-deposit CGI script.	4084834.cif