Crystallography Open Database

Information card for entry 4507854

Preview

Coordinates	4507854.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C35 H31 Er6 N5 O32
Calculated formula	C35 H25 Er6 N5 O32
Title of publication	Metal‒Organic Frameworks Assembled From Erbium Tetramers and 2,5-Pyridinedicarboxylic Acid
Authors of publication	Silva, Patrícia; Cunha-Silva, Luís; Silva, Nuno J. O.; Rocha, João; Paz, Filipe A. Almeida
Journal of publication	Crystal Growth & Design
Year of publication	2013
Journal volume	13
Journal issue	6
Pages of publication	2607
a	24.807 ± 0.004 Å
b	13.6667 ± 0.0019 Å
c	14.224 ± 0.002 Å
α	90°
β	100.195 ± 0.009°
γ	90°
Cell volume	4746.2 ± 1.2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0635
Residual factor for significantly intense reflections	0.0426
Weighted residual factors for significantly intense reflections	0.0838
Weighted residual factors for all reflections included in the refinement	0.0908
Goodness-of-fit parameter for all reflections included in the refinement	1.066
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
179614 (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 4/50/78.	4507854.cif
87122	2013-07-14	cif/ Adding structures of 4507854, 4507855 via cif-deposit CGI script.	4507854.cif