Crystallography Open Database

Information card for entry 8105046

Preview

Coordinates	8105046.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H28 Br O P Sn
Calculated formula	C27 H28 Br O P Sn
SMILES	[Sn](Br)([O]=P(c1ccccc1)(c1ccccc1)c1ccccc1)(C)(C)c1ccc(cc1)C
Title of publication	Crystal structure of bromido-dimethyl-4-tolyl-(triphenylphosphine oxide)tin(IV), C27H28BrOPSn
Authors of publication	Lee, See Mun; Lo, Kong Mun; Tiekink, Edward R.T.
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2019
Journal volume	235
Journal issue	1
Pages of publication	163 - 165
a	10.9369 ± 0.0001 Å
b	12.217 ± 0.0001 Å
c	18.8402 ± 0.0001 Å
α	90°
β	91.869 ± 0.001°
γ	90°
Cell volume	2516.01 ± 0.03 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0289
Residual factor for significantly intense reflections	0.0279
Weighted residual factors for significantly intense reflections	0.0747
Weighted residual factors for all reflections included in the refinement	0.0754
Goodness-of-fit parameter for all reflections included in the refinement	1.08
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
274381 (current)	2022-04-06	cif/ Adding structures of 8105046 via cif-deposit CGI script.	8105046.cif