Crystallography Open Database

Information card for entry 4085071

Preview

Coordinates	4085071.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(c1ccc(cc1)C(C)(C)C)Br)([P](C1CCCCC1)(C1CCCCC1)C1CCCCC1)([P](C1CCCCC1)(C1CCCCC1)C1CCCCC1)Br
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	13.0435 ± 0.0017 Å
b	14.2865 ± 0.0018 Å
c	14.9344 ± 0.0018 Å
α	80.703 ± 0.004°
β	89.627 ± 0.004°
γ	72.306 ± 0.004°
Cell volume	2613.8 ± 0.6 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0611
Residual factor for significantly intense reflections	0.0407
Weighted residual factors for significantly intense reflections	0.0848
Weighted residual factors for all reflections included in the refinement	0.0907
Goodness-of-fit parameter for all reflections included in the refinement	0.954
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.	4085071.cif
140238	2015-07-05	cif/ Updating files of 4085070, 4085071, 4085072, 4085073 Original log message: Adding full bibliography for 4085070--4085073.cif.	4085071.cif
128979	2014-12-21	cif/ Adding structures of 4085070, 4085071, 4085072, 4085073 via cif-deposit CGI script.	4085071.cif