Crystallography Open Database

Information card for entry 4325853

Preview

Coordinates	4325853.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C33 H56 B10 Cl2 O2 P4 Pd Pt S
Calculated formula	C33 H56 B10 Cl2 O2 P4 Pd Pt S
Title of publication	Reversible Capture of Small Molecules On Bimetallaborane Clusters: Synthesis, Structural Characterization, and Photophysical Aspects
Authors of publication	Jonathan Bould; Tomáš Baše; Michael G. S. Londesborough; Luis A. Oro; Ramón Macías; John D. Kennedy; Pavel Kubát; Marcel Fuciman; Tomáš Polívka; Kamil Lang
Journal of publication	Inorganic Chemistry
Year of publication	2011
Journal volume	50
Pages of publication	7511 - 7523
a	23.901 ± 0.005 Å
b	10.743 ± 0.002 Å
c	17.573 ± 0.004 Å
α	90°
β	90°
γ	90°
Cell volume	4512.2 ± 1.6 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	9
Space group number	33
Hermann-Mauguin space group symbol	P n a 21
Hall space group symbol	P 2c -2n
Residual factor for all reflections	0.0764
Residual factor for significantly intense reflections	0.0469
Weighted residual factors for significantly intense reflections	0.0865
Weighted residual factors for all reflections included in the refinement	0.0961
Goodness-of-fit parameter for all reflections included in the refinement	1.025
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
179361 (current)	2016-03-23	cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/58.	4325853.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4325853.cif
46889	2012-03-21	../uploads/cif-deposit/cod/cif Adding structures of 4325853 via cif-deposit CGI script.	4325853.cif