Crystallography Open Database

Information card for entry 7210445

Preview

Coordinates	7210445.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C54 H41 Co4 N9 O27
Calculated formula	C54 H41 Co4 N9 O27
Title of publication	1D, 2D and 3D coordination polymers of 5,5′-methylenebis(oxy)dinicotinic acid with Co(ii), Mn(ii), Cu(ii) and Cd(ii) ions
Authors of publication	Patra, Ranjan; Titi, Hatem M.; Goldberg, Israel
Journal of publication	CrystEngComm
Year of publication	2013
Journal volume	15
Journal issue	36
Pages of publication	7257
a	10.7873 ± 0.0002 Å
b	26.9072 ± 0.0005 Å
c	22.3486 ± 0.0003 Å
α	90°
β	101.173 ± 0.001°
γ	90°
Cell volume	6363.87 ± 0.19 Å³
Cell temperature	110 ± 2 K
Ambient diffraction temperature	110 ± 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	0.0394
Residual factor for significantly intense reflections	0.0296
Weighted residual factors for significantly intense reflections	0.071
Weighted residual factors for all reflections included in the refinement	0.0739
Goodness-of-fit parameter for all reflections included in the refinement	1.037
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
180435 (current)	2016-03-26	cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/04.	7210445.cif
87626	2013-08-27	cif/ Adding structures of 7210441, 7210442, 7210443, 7210444, 7210445, 7210446, 7210447 via cif-deposit CGI script.	7210445.cif