Crystallography Open Database

Information card for entry 7054072

Preview

Coordinates	7054072.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H33 Co2 N2 O11.5
Calculated formula	C18 H30 Co2 N2 O10
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	28.365 ± 0.004 Å
b	28.365 ± 0.004 Å
c	13.361 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	10750 ± 3 Å³
Cell temperature	95 ± 2 K
Ambient diffraction temperature	95 ± 2 K
Number of distinct elements	5
Space group number	88
Hermann-Mauguin space group symbol	I 41/a
Hall space group symbol	-I 4ad
Residual factor for all reflections	0.0645
Residual factor for significantly intense reflections	0.0614
Weighted residual factors for significantly intense reflections	0.1411
Weighted residual factors for all reflections included in the refinement	0.1423
Goodness-of-fit parameter for all reflections included in the refinement	1.206
Diffraction radiation wavelength	0.80003 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	No
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.	7054072.cif
110380	2014-04-18	cif/ Adding structures of 7054071, 7054072, 7054073 via cif-deposit CGI script.	7054072.cif