Crystallography Open Database

Information card for entry 8105863

Preview

Coordinates	8105863.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H22 Cl F N2 O2 Sn
Calculated formula	C27 H22 Cl F N2 O2 Sn
SMILES	[Sn]12(Cl)(Oc3c4[n]1c(ccc4ccc3)C)(Oc1c3[n]2c(ccc3ccc1)C)Cc1ccc(F)cc1
Title of publication	Crystal structure of chlorido-4-fluorobenzyl-bis(2-methylquinolin-8-olato-κ2 N,O)tin(IV), C27H22ClFN2O2Sn
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	234
Journal issue	4
Pages of publication	823 - 825
a	9.3897 ± 0.0001 Å
b	9.3897 ± 0.0001 Å
c	26.2753 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	2316.6 ± 0.05 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	7
Space group number	76
Hermann-Mauguin space group symbol	P 41
Hall space group symbol	P 4w
Residual factor for all reflections	0.0142
Residual factor for significantly intense reflections	0.0141
Weighted residual factors for significantly intense reflections	0.0381
Weighted residual factors for all reflections included in the refinement	0.0381
Goodness-of-fit parameter for all reflections included in the refinement	0.981
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
278169 (current)	2022-09-26	cif/ Adding structures of 8105863 via cif-deposit CGI script.	8105863.cif