Crystallography Open Database

Information card for entry 4500322

Preview

Coordinates	4500322.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H36 La N2 O12
Calculated formula	C36 H36 La N2 O12
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	9.5174 ± 0.0003 Å
b	12.5384 ± 0.0003 Å
c	16.3714 ± 0.0004 Å
α	80.008 ± 0.001°
β	81.419 ± 0.001°
γ	69.005 ± 0.001°
Cell volume	1788.22 ± 0.08 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 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	0.0227
Residual factor for significantly intense reflections	0.0206
Weighted residual factors for significantly intense reflections	0.0534
Weighted residual factors for all reflections included in the refinement	0.0549
Goodness-of-fit parameter for all reflections included in the refinement	1.084
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.	4500322.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4500322.cif
34448	2012-02-25	../uploads/cif-deposit/cod/cif Adding structures of 4500322 via cif-deposit CGI script.	4500322.cif