Crystallography Open Database

Information card for entry 4501398

Preview

Coordinates	4501398.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C81 H99 N0 O62 Pr6
Calculated formula	C81 H99 O62 Pr6
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	19.869 ± 0.003 Å
b	19.869 ± 0.003 Å
c	27.47 ± 0.007 Å
α	90°
β	90°
γ	120°
Cell volume	9392 ± 3 Å³
Cell temperature	273 ± 2 K
Ambient diffraction temperature	273 ± 2 K
Number of distinct elements	5
Space group number	176
Hermann-Mauguin space group symbol	P 63/m
Hall space group symbol	-P 6c
Residual factor for all reflections	0.1238
Residual factor for significantly intense reflections	0.0738
Weighted residual factors for significantly intense reflections	0.2135
Weighted residual factors for all reflections included in the refinement	0.2368
Goodness-of-fit parameter for all reflections included in the refinement	0.957
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.	4501398.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4501398.cif
34886	2012-02-26	../uploads/cif-deposit/cod/cif Adding structures of 4501398, 4501399, 4501400 via cif-deposit CGI script.	4501398.cif