Crystallography Open Database

Information card for entry 1529425

Preview

Coordinates	1529425.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	Tris[(1,2-bis{diphenylphosphinoethane}platinum(II)]cyclotricatechylene hydrate octakis-dimethylacetamide solvate
Formula	C131 H158 N8 O15 P6 Pt3
Calculated formula	C123 H141 N6 O13 P6 Pt3
Title of publication	Platinum(ii) complexes of mixed-valent radicals derived from cyclotricatechylene, a macrocyclic tris-dioxolene
Authors of publication	Loughrey, Jonathan J.; Patmore, Nathan J.; Baldansuren, Amgalanbaatar; Fielding, Alistair J.; McInnes, Eric J. L.; Hardie, Michaele J.; Sproules, Stephen; Halcrow, Malcolm A.
Journal of publication	Chem. Sci.
Year of publication	2015
Journal volume	6
Journal issue	12
Pages of publication	6935
a	23.8013 ± 0.0006 Å
b	23.8013 ± 0.0006 Å
c	13.6022 ± 0.0005 Å
α	90°
β	90°
γ	120°
Cell volume	6673.3 ± 0.3 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
Space group number	176
Hermann-Mauguin space group symbol	P 63/m
Hall space group symbol	-P 6c
Residual factor for all reflections	0.0828
Residual factor for significantly intense reflections	0.0803
Weighted residual factors for significantly intense reflections	0.1886
Weighted residual factors for all reflections included in the refinement	0.1897
Goodness-of-fit parameter for all reflections included in the refinement	1.203
Diffraction radiation wavelength	0.6998 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
170970 (current)	2015-12-09	cif/ Updating files of 1529425, 1529426 Original log message: Adding full bibliography for 1529425--1529426.cif.	1529425.cif
153562	2015-08-21	cif/ Adding structures of 1529425, 1529426 via cif-deposit CGI script.	1529425.cif