Crystallography Open Database

Information card for entry 4085070

Preview

Coordinates	4085070.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C46 H79 B Br2 P2 Pt
Calculated formula	C46 H79 B Br2 P2 Pt
SMILES	[Pt](B(Br)c1c(c(cc(c1C)C)C)C)(Br)([P](C1CCCCC1)(C1CCCCC1)C1CCCCC1)[P](C1CCCCC1)(C1CCCCC1)C1CCCCC1
Title of publication	Investigation of Steric Factors Involved in the Formation of Terminal Cationic Platinum Arylborylene Complexes
Authors of publication	Arnold, Nicole; Braunschweig, Holger; Brenner, Peter B.; Dewhurst, Rian; Kramer, Thomas; Radacki, Krzysztof
Journal of publication	Organometallics
Year of publication	2015
Journal volume	34
Journal issue	11
Pages of publication	2343
a	14.3925 ± 0.0008 Å
b	17.5114 ± 0.0011 Å
c	18.3676 ± 0.0011 Å
α	90°
β	90°
γ	90°
Cell volume	4629.2 ± 0.5 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0265
Residual factor for significantly intense reflections	0.0229
Weighted residual factors for significantly intense reflections	0.0422
Weighted residual factors for all reflections included in the refinement	0.0428
Goodness-of-fit parameter for all reflections included in the refinement	1.019
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
178739 (current)	2016-03-21	cif/4/08/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/08/50.	4085070.cif
140238	2015-07-05	cif/ Updating files of 4085070, 4085071, 4085072, 4085073 Original log message: Adding full bibliography for 4085070--4085073.cif.	4085070.cif
128979	2014-12-21	cif/ Adding structures of 4085070, 4085071, 4085072, 4085073 via cif-deposit CGI script.	4085070.cif