Crystallography Open Database

Information card for entry 4111798

Preview

Coordinates	4111798.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C68 H68 Fe2 Hg O12 P4 Pt Si2
Calculated formula	C68 H68 Fe2 Hg O12 P4 Pt Si2
Title of publication	Metal "Capture" by a Heterotrimetalloligand, Heterometallic d10-d10 Interactions, and Unexpected Iron-to-Platinum Silyl Ligand Migration: a Combined Experimental and Theoretical Study
Authors of publication	Walter Schuh; Pierre Braunstein; Marc Bénard; Marie-Madeleine Rohmer; Richard Welter
Journal of publication	Journal of the American Chemical Society
Year of publication	2005
Journal volume	127
Pages of publication	10250 - 10258
a	12.916 ± 0.002 Å
b	13.027 ± 0.002 Å
c	21.059 ± 0.005 Å
α	101.03 ± 0.05°
β	100.74 ± 0.05°
γ	91.62 ± 0.05°
Cell volume	3409.4 ± 1.4 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	153 ± 2 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	0.0547
Residual factor for significantly intense reflections	0.036
Weighted residual factors for significantly intense reflections	0.0897
Weighted residual factors for all reflections included in the refinement	0.0959
Goodness-of-fit parameter for all reflections included in the refinement	1.024
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
178888 (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 4/11/17.	4111798.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4111798.cif
63410	2012-08-01	cif/ Adding structures of 4111798 via cif-deposit CGI script.	4111798.cif