Crystallography Open Database

Information card for entry 4500328

Preview

Coordinates	4500328.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C38 H33 N2 O12 Tb
Calculated formula	C38 H33 N2 O12 Tb
Title of publication	Coordination Polymers of Lanthanide(III): Toward Encapsulation of Well-Defined Assembly of Guest Molecules
Authors of publication	Sarma, Rupam; Deka, Himangshu; Boudalis, Athanassios K.; Baruah, Jubaraj B.
Journal of publication	Crystal Growth & Design
Year of publication	2011
Journal volume	11
Journal issue	2
Pages of publication	547
a	17.7423 ± 0.0005 Å
b	19.7457 ± 0.0005 Å
c	10.0389 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	3516.97 ± 0.17 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	56
Hermann-Mauguin space group symbol	P c c n
Hall space group symbol	-P 2ab 2ac
Residual factor for all reflections	0.029
Residual factor for significantly intense reflections	0.0194
Weighted residual factors for significantly intense reflections	0.0439
Weighted residual factors for all reflections included in the refinement	0.0458
Goodness-of-fit parameter for all reflections included in the refinement	0.945
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
179534 (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 4/50/03.	4500328.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4500328.cif
34454	2012-02-25	../uploads/cif-deposit/cod/cif Adding structures of 4500328 via cif-deposit CGI script.	4500328.cif