Crystallography Open Database

Information card for entry 7108787

Preview

Coordinates	7108787.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C9 H16 Er O11
Calculated formula	C9 H14 Er O11
Title of publication	2D and 3D photoreactive lanthanide MOFs of trans,trans-muconic acid
Authors of publication	Adonis Michaelides; Stavroula Skoulika; Michael G. Siskos
Journal of publication	Chem.Commun.
Year of publication	2012
Journal volume	49
Pages of publication	1008
a	9.247 ± 0.002 Å
b	9.437 ± 0.002 Å
c	9.862 ± 0.003 Å
α	74.36 ± 0.02°
β	63.38 ± 0.02°
γ	87.67 ± 0.02°
Cell volume	737.7 ± 0.4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0454
Residual factor for significantly intense reflections	0.038
Weighted residual factors for significantly intense reflections	0.1207
Weighted residual factors for all reflections included in the refinement	0.1338
Goodness-of-fit parameter for all reflections included in the refinement	1.152
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
180191 (current)	2016-03-26	cif/7/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/10/87.	7108787.cif
106664	2014-03-15	cif/ (saulius@koala.ibt.lt) Adding DOIs to the rest of the Chem. Comm. files. Some of these files have author names differing from PubMed in diacritics (either diacritics are omitted or we have encoding problems); or they have a year difference of 1. However, since first pages always match and author names are variants of each other, I assume that DOIs are assigned correctly.	7108787.cif
70869	2013-01-10	cif/ Adding structures of 7108787, 7108788, 7108789, 7108790, 7108791 via cif-deposit CGI script.	7108787.cif