Crystallography Open Database

Information card for entry 8105890

Preview

Coordinates	8105890.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C37 H29 Cl O4 Sn
Calculated formula	C37 H29 Cl O4 Sn
SMILES	[Sn]12(Cl)([O]=C(C=C(O1)c1ccccc1)c1ccccc1)([O]=C(C=C(O2)c1ccccc1)c1ccccc1)Cc1ccccc1
Title of publication	Crystal structure of benzylbis(1,3-diphenylpropane-1,3-dionato-κ2 O,O′) chloridotin(IV), C37H29ClO4Sn
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	5
Pages of publication	915 - 917
a	10.4233 ± 0.0003 Å
b	19.506 ± 0.0006 Å
c	14.8084 ± 0.0005 Å
α	90°
β	94.148 ± 0.002°
γ	90°
Cell volume	3002.91 ± 0.16 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0525
Residual factor for significantly intense reflections	0.0432
Weighted residual factors for significantly intense reflections	0.0987
Weighted residual factors for all reflections included in the refinement	0.1036
Goodness-of-fit parameter for all reflections included in the refinement	1.047
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
278562 (current)	2022-10-13	cif/ Adding structures of 8105890 via cif-deposit CGI script.	8105890.cif