Crystallography Open Database

Information card for entry 8105044

Preview

Coordinates	8105044.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H22 Cl F N2 O5 Sn
Calculated formula	C26 H22 Cl F N2 O5 Sn
SMILES	[Sn]12(Cl)([N](N=C(O1)c1c(O)cc3ccccc3c1)=Cc1c(O2)cc(OC)cc1)([OH2])Cc1ccc(F)cc1
Title of publication	Crystal structure of aqua-chlorido-(4-fluorobenzyl-κC)-(N′-(4-methoxy-2-oxidobenzylidene)-3-hydroxy-2-naphthohydrazidato-κ3N,O,O′)tin(IV), C26H22ClFN2O5Sn
Authors of publication	Lo, Kong Mun; Lee, See 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	155 - 157
a	7.1473 ± 0.0006 Å
b	12.8246 ± 0.0011 Å
c	13.2899 ± 0.0011 Å
α	97.541 ± 0.005°
β	94.503 ± 0.006°
γ	96.247 ± 0.005°
Cell volume	1195.13 ± 0.18 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0412
Residual factor for significantly intense reflections	0.0325
Weighted residual factors for significantly intense reflections	0.0713
Weighted residual factors for all reflections included in the refinement	0.0756
Goodness-of-fit parameter for all reflections included in the refinement	0.994
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
274379 (current)	2022-04-06	cif/ Adding structures of 8105044 via cif-deposit CGI script.	8105044.cif