Crystallography Open Database

Information card for entry 4325851

Preview

Coordinates	4325851.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C33 H54 B10 O P4 Pd Pt
Calculated formula	C33 H54 B10 O P4 Pd0.9972 Pt
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	23.566 ± 0.005 Å
b	10.827 ± 0.002 Å
c	17.533 ± 0.004 Å
α	90°
β	90°
γ	90°
Cell volume	4473.5 ± 1.6 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	7
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	0.0269
Residual factor for significantly intense reflections	0.0243
Weighted residual factors for significantly intense reflections	0.062
Weighted residual factors for all reflections included in the refinement	0.0631
Goodness-of-fit parameter for all reflections included in the refinement	1.032
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.	4325851.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4325851.cif
46887	2012-03-21	../uploads/cif-deposit/cod/cif Adding structures of 4325851 via cif-deposit CGI script.	4325851.cif