Crystallography Open Database

Information card for entry 4504569

Preview

Coordinates	4504569.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C74 H100 Cl4 O18 Sn6
Calculated formula	C74 H100 Cl4 O18 Sn6
Title of publication	Influence of Aromatic Substituents on the Supramolecular Architectures of Monoorganooxotin Drums
Authors of publication	Chandrasekhar, Vadapalli; Gopal, Kandasamy; Nagendran, Selvarajan; Steiner, Alexander; Zacchini, Stefano
Journal of publication	Crystal Growth & Design
Year of publication	2006
Journal volume	6
Journal issue	1
Pages of publication	267
a	16.11 ± 0.0017 Å
b	11.2664 ± 0.0012 Å
c	22.842 ± 0.003 Å
α	90°
β	99.925 ± 0.002°
γ	90°
Cell volume	4083.8 ± 0.8 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 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	0.084
Residual factor for significantly intense reflections	0.0479
Weighted residual factors for significantly intense reflections	0.1016
Weighted residual factors for all reflections included in the refinement	0.1146
Goodness-of-fit parameter for all reflections included in the refinement	0.989
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
179580 (current)	2016-03-24	cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/45.	4504569.cif
120110	2014-07-12	Adding DOIs to range 4/50 structures.	4504569.cif
47423	2012-03-26	../uploads/cif-deposit/cod/cif Adding structures of 4504568, 4504569, 4504570, 4504571 via cif-deposit CGI script.	4504569.cif