Crystallography Open Database

Information card for entry 4329061

Preview

Coordinates	4329061.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	PtRh(tfepma)(tBuNC)Br5
Formula	C23.75 H31.5 Br5 Cl1.5 F24 N3 O8 P4 Pt Rh
Calculated formula	C23.75 H31.5 Br5 Cl1.5 F24 N3 O8 P4 Pt Rh
Title of publication	Halogen Oxidation and Halogen Photoelimination Chemistry of a Platinum-Rhodium Heterobimetallic Core
Authors of publication	Timothy R. Cook; Brian D. McCarthy; Daniel A. Lutterman; Daniel G. Nocera
Journal of publication	Inorganic Chemistry
Year of publication	2012
Journal volume	51
Pages of publication	5152 - 5163
a	11.614 ± 0.003 Å
b	19.203 ± 0.006 Å
c	24.826 ± 0.006 Å
α	109.141 ± 0.004°
β	90.643 ± 0.004°
γ	98.998 ± 0.004°
Cell volume	5155 ± 2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	10
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0921
Residual factor for significantly intense reflections	0.0654
Weighted residual factors for significantly intense reflections	0.1539
Weighted residual factors for all reflections included in the refinement	0.1667
Goodness-of-fit parameter for all reflections included in the refinement	1.093
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
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.	4329061.cif
78101	2013-04-01	cif/ Adding structures of 4329061 via cif-deposit CGI script.	4329061.cif