Crystallography Open Database

Information card for entry 2105726

Preview

Coordinates	2105726.cif
Original IUCr paper	HTML

Structure parameters

Formula	C19 H13 Co N O5
Calculated formula	C19 H13 Co N O5
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	12.9936 ± 0.0008 Å
b	17.9026 ± 0.0008 Å
c	7.1797 ± 0.0004 Å
α	90°
β	116.294 ± 0.008°
γ	90°
Cell volume	1497.33 ± 0.17 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0443
Residual factor for significantly intense reflections	0.0391
Weighted residual factors for significantly intense reflections	0.0959
Weighted residual factors for all reflections included in the refinement	0.0997
Goodness-of-fit parameter for all reflections included in the refinement	1.042
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176768 (current)	2016-02-20	cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/10.	2105726.cif
104226	2014-03-10	cif/ hkl/ Adding structures of 2105723, 2105724, 2105725, 2105726 via cif-deposit CGI script.	2105726.cif