Crystallography Open Database

Information card for entry 4506297

Preview

Coordinates	4506297.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C41 H65 N3 O4 Sn2
Calculated formula	C41 H65 N3 O4 Sn2
Title of publication	Synthesis of One- and Two-Dimensional Coordination Polymers Containing Organotin Macrocycles. Reactions of (n-Bu3Sn)2O with Pyridine Dicarboxylic Acids. Structure-Directing Role of the Ancillary 4,4′-Bipyridine Ligand
Authors of publication	Chandrasekhar, Vadapalli; Mohapatra, Chandrajeet; Butcher, Ray J.
Journal of publication	Crystal Growth & Design
Year of publication	2012
Journal volume	12
Journal issue	6
Pages of publication	3285
a	9.688 ± 0.005 Å
b	9.766 ± 0.005 Å
c	11.939 ± 0.005 Å
α	75.798 ± 0.005°
β	87.925 ± 0.005°
γ	75.144 ± 0.005°
Cell volume	1058 ± 0.9 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0429
Residual factor for significantly intense reflections	0.0367
Weighted residual factors for significantly intense reflections	0.1039
Weighted residual factors for all reflections included in the refinement	0.1322
Goodness-of-fit parameter for all reflections included in the refinement	1.192
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
179598 (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 4/50/62.	4506297.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4506297.cif
62226	2012-07-07	cif/ Adding structures of 4506292, 4506293, 4506294, 4506295, 4506296, 4506297 via cif-deposit CGI script.	4506297.cif