Crystallography Open Database

Information card for entry 4066477

Preview

Coordinates	4066477.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C39 H76 B Br2 N P2 Pt Si
Calculated formula	C39 H76 B Br2 N P2 Pt Si
SMILES	[Pt](B(Br)N[Si](C)(C)C)(Br)([P](C1CCCCC1)(C1CCCCC1)C1CCCCC1)[P](C1CCCCC1)(C1CCCCC1)C1CCCCC1
Title of publication	Reactivity of Platinum Iminoboryl Complexes toward Covalent Element−Hydrogen Bonds of Opposing Polarity
Authors of publication	Braunschweig, Holger; Matz, Ferdinand; Radacki, Krzysztof; Schneider, Achim
Journal of publication	Organometallics
Year of publication	2010
Journal volume	29
Journal issue	15
Pages of publication	3457
a	10.0348 ± 0.0003 Å
b	14.1218 ± 0.0003 Å
c	18.4385 ± 0.0004 Å
α	90°
β	121.008 ± 0.001°
γ	90°
Cell volume	2239.51 ± 0.1 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	8
Space group number	7
Hermann-Mauguin space group symbol	P 1 c 1
Hall space group symbol	P -2yc
Residual factor for all reflections	0.0168
Residual factor for significantly intense reflections	0.0156
Weighted residual factors for significantly intense reflections	0.0317
Weighted residual factors for all reflections included in the refinement	0.0411
Goodness-of-fit parameter for all reflections included in the refinement	1.099
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
178556 (current)	2016-03-21	cif/4/06/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/06/64.	4066477.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4066477.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4066477.cif
33906	2012-02-13	../uploads/cif-deposit/cod/cif Adding structures of 4066477, 4066478, 4066479 via cif-deposit CGI script.	4066477.cif