Crystallography Open Database

Information card for entry 8106144

Preview

Coordinates	8106144.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H23 F N2 O3 Sn
Calculated formula	C28 H23 F N2 O3 Sn
SMILES	[Sn]12(OC(=N[N]2=Cc2c(O1)c(OCC)ccc2)c1ccc(F)cc1)(c1ccccc1)c1ccccc1
Title of publication	Crystal structure of (N-(3-ethoxy-2-oxidobenzylidene)-4-fluorobenzohydrazonato-κ3 N,O,O′)-diphenyltin(IV), C28H23FN2O3Sn
Authors of publication	Tan, Yee Seng; Lee, See Mun; Tiekink, Edward R.T.
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2018
Journal volume	233
Journal issue	2
Pages of publication	331 - 333
a	16.0887 ± 0.0002 Å
b	14.5333 ± 0.0002 Å
c	20.555 ± 0.0002 Å
α	90°
β	90°
γ	90°
Cell volume	4806.21 ± 0.1 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0224
Residual factor for significantly intense reflections	0.0199
Weighted residual factors for significantly intense reflections	0.0574
Weighted residual factors for all reflections included in the refinement	0.0596
Goodness-of-fit parameter for all reflections included in the refinement	1.015
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
279364 (current)	2022-11-17	cif/ Adding structures of 8106144 via cif-deposit CGI script.	8106144.cif