Crystallography Open Database

Information card for entry 4113590

Preview

Coordinates	4113590.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C33 H48 Cl3 N5 O4 Pt
Calculated formula	C33 H48 Cl3 N5 O4 Pt
Title of publication	An Outer-Sphere Two-Electron Platinum Reagent
Authors of publication	Hershel Jude; Jeanette A. Krause Bauer; William B. Connick
Journal of publication	Journal of the American Chemical Society
Year of publication	2003
Journal volume	125
Pages of publication	3446 - 3447
a	23.5863 ± 0.0017 Å
b	15.7557 ± 0.0011 Å
c	10.2636 ± 0.0007 Å
α	90°
β	91.551 ± 0.001°
γ	90°
Cell volume	3812.7 ± 0.5 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0644
Residual factor for significantly intense reflections	0.0527
Weighted residual factors for significantly intense reflections	0.1405
Weighted residual factors for all reflections included in the refinement	0.146
Goodness-of-fit parameter for all reflections included in the refinement	1.125
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
178906 (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 4/11/35.	4113590.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4113590.cif
66855	2012-09-17	cif/ Adding structures of 4113590 via cif-deposit CGI script.	4113590.cif