Crystallography Open Database

Information card for entry 7054073

Preview

Coordinates	7054073.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C33 H50 N2 O20 Tb3
Calculated formula	C33 H50 N2 O20 Tb3
Title of publication	Metal‒organic frameworks constructed from flexible ditopic ligands: conformational diversity of an aliphatic ligand
Authors of publication	Kim, Tae Kyung; Lee, Kyung Joo; Choi, Min; Park, Noejung; Moon, Dohyun; Moon, Hoi Ri
Journal of publication	New Journal of Chemistry
Year of publication	2013
Journal volume	37
Journal issue	12
Pages of publication	4130
a	12.108 ± 0.002 Å
b	17.477 ± 0.004 Å
c	20.111 ± 0.004 Å
α	90°
β	91.99 ± 0.03°
γ	90°
Cell volume	4253.2 ± 1.5 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	5
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	0.0638
Residual factor for significantly intense reflections	0.0396
Weighted residual factors for significantly intense reflections	0.0827
Weighted residual factors for all reflections included in the refinement	0.0937
Goodness-of-fit parameter for all reflections included in the refinement	1.028
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
180094 (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 7/05/40.	7054073.cif
110380	2014-04-18	cif/ Adding structures of 7054071, 7054072, 7054073 via cif-deposit CGI script.	7054073.cif