Crystallography Open Database

Information card for entry 4501399

Preview

Coordinates	4501399.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H32 Er N O7 S2
Calculated formula	C30 H32 Er N O7 S2
Title of publication	Three 3D Lanthanide‒Organic Frameworks Based on Novel Flexible Multicarboxylates: From ssa to rtl Topologies
Authors of publication	Dai, Fangna; Sun, Di; Sun, Daofeng
Journal of publication	Crystal Growth & Design
Year of publication	2011
Journal volume	11
Journal issue	12
Pages of publication	5670
a	9.0068 ± 0.0004 Å
b	22.9837 ± 0.0009 Å
c	14.8035 ± 0.0006 Å
α	90°
β	92.787 ± 0.001°
γ	90°
Cell volume	3060.8 ± 0.2 Å³
Cell temperature	273 ± 2 K
Ambient diffraction temperature	273 ± 2 K
Number of distinct elements	6
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	0.0315
Residual factor for significantly intense reflections	0.0259
Weighted residual factors for significantly intense reflections	0.0624
Weighted residual factors for all reflections included in the refinement	0.0657
Goodness-of-fit parameter for all reflections included in the refinement	1.001
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
179544 (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 4/50/13.	4501399.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4501399.cif
34886	2012-02-26	../uploads/cif-deposit/cod/cif Adding structures of 4501398, 4501399, 4501400 via cif-deposit CGI script.	4501399.cif