Crystallography Open Database

Information card for entry 4502000

4501999 << 4502000 >> 4502001

Preview

Coordinates	4502000.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C164 H218 Gd8 N24 Na16 O121
Calculated formula	C164 H179 Gd8 N24 Na16 O121
Title of publication	Lanthanide−Organic Framework of a Rigid Bis-Gd Complex: Composed by Carbonate Ions Spacers
Authors of publication	Gunanathan, Chidambaram; Diskin-Posner, Yael; Milstein, David
Journal of publication	Crystal Growth & Design
Year of publication	2010
Journal volume	10
Journal issue	10
Pages of publication	4235
a	18.5386 ± 0.0002 Å
b	18.6236 ± 0.0007 Å
c	27.2733 ± 0.0006 Å
α	92.986 ± 0.002°
β	107.871 ± 0.0007°
γ	107.624 ± 0.003°
Cell volume	8431.4 ± 0.4 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1064
Residual factor for significantly intense reflections	0.0898
Weighted residual factors for significantly intense reflections	0.2559
Weighted residual factors for all reflections included in the refinement	0.2672
Goodness-of-fit parameter for all reflections included in the refinement	1.108
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	4502000.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4502000.cif
36197	2012-03-01	../uploads/cif-deposit/cod/cif Adding structures of 4502000 via cif-deposit CGI script.	4502000.cif