Crystallography Open Database

Information card for entry 4337296

Preview

Coordinates	4337296.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C56 H66 N2 P2 Pt
Calculated formula	C56 H66 N2 P2 Pt
Title of publication	A combined computational and spectroelectrochemical study of platinum-bridged bis-triarylamine systems.
Authors of publication	Parthey, Matthias; Vincent, Kevin B.; Renz, Manuel; Schauer, Phil A.; Yufit, Dmitry S.; Howard, Judith A. K.; Kaupp, Martin; Low, Paul J.
Journal of publication	Inorganic chemistry
Year of publication	2014
Journal volume	53
Journal issue	3
Pages of publication	1544 - 1554
a	9.9533 ± 0.0005 Å
b	11.0652 ± 0.0007 Å
c	11.5908 ± 0.0007 Å
α	76.561 ± 0.005°
β	88.071 ± 0.004°
γ	85.292 ± 0.005°
Cell volume	1237.27 ± 0.13 Å³
Cell temperature	120 K
Ambient diffraction temperature	120 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0315
Residual factor for significantly intense reflections	0.0292
Weighted residual factors for significantly intense reflections	0.0623
Weighted residual factors for all reflections included in the refinement	0.0636
Goodness-of-fit parameter for all reflections included in the refinement	1.013
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Diffraction radiation X-ray symbol	Mo
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
179475 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/72.	4337296.cif
106263	2014-03-15	cif/ Adding structures of 4337296 via cif-deposit CGI script.	4337296.cif