Crystallography Open Database

Information card for entry 4111486

Preview

Coordinates	4111486.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C48 H77 N3 O16 Sn3
Calculated formula	C48 H75 N3 O16 Sn3
Title of publication	Self-Assembly of Diorganotin(IV) Oxides (R = Me,nBu, Ph) and 2,5-Pyridinedicarboxylic Acid to Polymeric and Trinuclear Macrocyclic Hybrids with Porous Solid-State Structures: Influence of Substituents and Solvent on the Supramolecular Structure
Authors of publication	Reyes García-Zarracino; Herbert Höpfl
Journal of publication	Journal of the American Chemical Society
Year of publication	2005
Journal volume	127
Pages of publication	3120 - 3130
a	26.594 ± 0.004 Å
b	9.5792 ± 0.0014 Å
c	24.2 ± 0.004 Å
α	90°
β	114.73 ± 0.003°
γ	90°
Cell volume	5599.5 ± 1.5 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for all reflections	0.0886
Residual factor for significantly intense reflections	0.0751
Weighted residual factors for significantly intense reflections	0.1452
Weighted residual factors for all reflections included in the refinement	0.1516
Goodness-of-fit parameter for all reflections included in the refinement	1.086
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
178885 (current)	2016-03-22	cif/4/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/11/14.	4111486.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4111486.cif
63086	2012-07-18	cif/ Adding structures of 4111486 via cif-deposit CGI script.	4111486.cif