Crystallography Open Database

Information card for entry 4339241

Preview

Coordinates	4339241.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H57 N6 O22 Tb
Calculated formula	C32 H39 N6 O20.388 Tb
Title of publication	Toward the rational design of lanthanide coordination polymers: a new topological approach.
Authors of publication	Marchal, Claire; Filinchuk, Yaroslav; Imbert, Daniel; Bünzli, Jean-Claude G; Mazzanti, Marinella
Journal of publication	Inorganic chemistry
Year of publication	2007
Journal volume	46
Journal issue	16
Pages of publication	6242 - 6244
a	16.0957 ± 0.0002 Å
b	14.28689 ± 0.00013 Å
c	18.4787 ± 0.00016 Å
α	90°
β	94.5153 ± 0.0012°
γ	90°
Cell volume	4236.13 ± 0.08 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 0.5 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0454
Residual factor for significantly intense reflections	0.0382
Weighted residual factors for significantly intense reflections	0.0902
Weighted residual factors for all reflections included in the refinement	0.0951
Goodness-of-fit parameter for all reflections included in the refinement	1.017
Diffraction radiation wavelength	0.71076 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179495 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/92.	4339241.cif
117223	2014-06-14	cif/ Adding structures of 4339241 via cif-deposit CGI script.	4339241.cif