Crystallography Open Database

Information card for entry 2105725

Preview

Coordinates	2105725.cif
Original IUCr paper	HTML

Structure parameters

Formula	C17 H11.5 Co N O5.25
Calculated formula	C17 H11 Co N O5.25
Title of publication	Distortions of a flexible metal-organic framework from substituted pendant ligands
Authors of publication	Munn, Alexis S.; Clarkson, Guy J.; Walton, Richard I.
Journal of publication	Acta Crystallographica Section B
Year of publication	2014
Journal volume	70
Journal issue	1
Pages of publication	11 - 18
a	18.025 ± 0.016 Å
b	7.184 ± 0.006 Å
c	11.906 ± 0.011 Å
α	90°
β	90°
γ	90°
Cell volume	1542 ± 2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100.15 K
Number of distinct elements	5
Space group number	62
Hermann-Mauguin space group symbol	P n m a
Hall space group symbol	-P 2ac 2n
Residual factor for all reflections	0.0992
Residual factor for significantly intense reflections	0.0896
Weighted residual factors for significantly intense reflections	0.154
Weighted residual factors for all reflections included in the refinement	0.1585
Goodness-of-fit parameter for all reflections included in the refinement	1.113
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
176435 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries from ranges 1, 2.	2105725.cif
104226	2014-03-10	cif/ hkl/ Adding structures of 2105723, 2105724, 2105725, 2105726 via cif-deposit CGI script.	2105725.cif