Crystallography Open Database

Information card for entry 7211835

Preview

Coordinates	7211835.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	[Co(II)(H2O)(dipic)(4,4'-bipy)](H2O)
Formula	C24 H28 Co2 N4 O15
Calculated formula	C24 H26 Co2 N4 O15
SMILES	c12[n]3c(C(=O)O[Co]3([n]3ccc(c4cc[n]([Co]56([n]7c(cccc7C(=O)O6)C(=O)O5)([OH2])[OH2])cc4)cc3)([OH2])(OC2=O)[OH2])ccc1.O.O.O
Title of publication	Transition metal dipicolinates as designer T-shaped building blocks
Authors of publication	Felloni, Marina; Blake, Alexander J.; Hubberstey, Peter; Teat, Simon J.; Wilson, Claire; Schröder, Martin
Journal of publication	CrystEngComm
Year of publication	2010
Journal volume	12
Journal issue	5
Pages of publication	1576
a	25.23 ± 0.002 Å
b	10.547 ± 0.0009 Å
c	10.9426 ± 0.0009 Å
α	90°
β	109.021 ± 0.001°
γ	90°
Cell volume	2752.8 ± 0.4 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 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	0.0355
Residual factor for significantly intense reflections	0.0313
Weighted residual factors for significantly intense reflections	0.0766
Weighted residual factors for all reflections included in the refinement	0.079
Goodness-of-fit parameter for all reflections included in the refinement	1.052
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
180449 (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 7/21/18.	7211835.cif
92422	2014-01-12	cif/ Adding structures of 7211832, 7211833, 7211834, 7211835, 7211836, 7211837, 7211838, 7211839 via cif-deposit CGI script.	7211835.cif