Crystallography Open Database

Information card for entry 7052551

Preview

Coordinates	7052551.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C56 H44 Br4 Cl6 Er2 N8 O17
Calculated formula	C56 H44 Br4 Cl6 Er2 N8 O17
Title of publication	Influence of metal‒ligand ratio on benzimidazole based luminescent lanthanide complexes: 3-D network structures and chloride anion binding
Authors of publication	Yang, Xiaoping; Jones, Richard A.; Oye, Michael M.; Wiester, Michael; Lai, Rachel J.
Journal of publication	New Journal of Chemistry
Year of publication	2011
Journal volume	35
Journal issue	2
Pages of publication	310
a	7.8838 ± 0.0016 Å
b	14.174 ± 0.003 Å
c	16.683 ± 0.003 Å
α	98.85 ± 0.03°
β	99.52 ± 0.04°
γ	99.55 ± 0.03°
Cell volume	1781.3 ± 0.7 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	153 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0608
Residual factor for significantly intense reflections	0.0491
Weighted residual factors for significantly intense reflections	0.1121
Weighted residual factors for all reflections included in the refinement	0.119
Goodness-of-fit parameter for all reflections included in the refinement	1.175
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
180079 (current)	2016-03-26	cif/7/05/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/05/25.	7052551.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7052551.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7052551.cif
14949	2011-03-12	../uploads/cif-deposit/cod/cif Adding structures of 7052546, 7052547, 7052548, 7052549, 7052550, 7052551, 7052552, 7052553, 7052554, 7052555 via cif-deposit CGI script.	7052551.cif