Crystallography Open Database

Information card for entry 4505341

Preview

Coordinates	4505341.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H42 Co3 O30
Calculated formula	C18 H42 Co3 O30
SMILES	[OH2][Co](OC(=O)c1cc(C(=O)O[Co]([OH2])([OH2])([OH2])([OH2])[OH2])cc(C(=O)[O-])c1)(OC(=O)c1cc(C(=O)O[Co]([OH2])([OH2])([OH2])([OH2])[OH2])cc(C(=O)[O-])c1)([OH2])([OH2])[OH2].O.O.O.O
Title of publication	Structural Variability of Cobalt(II) Coordination Polymers: Three Polymorphs of Co3(TMA)2[TMA = Trimesate, C6H3(COO)33-]
Authors of publication	Cheng, Deping; Khan, Masood A.; Houser, Robert P.
Journal of publication	Crystal Growth & Design
Year of publication	2004
Journal volume	4
Journal issue	3
Pages of publication	599
a	6.6542 ± 0.0005 Å
b	10.7114 ± 0.0007 Å
c	12.3565 ± 0.0007 Å
α	99.008 ± 0.004°
β	102.553 ± 0.006°
γ	107.344 ± 0.007°
Cell volume	797.08 ± 0.1 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0386
Residual factor for significantly intense reflections	0.03
Weighted residual factors for significantly intense reflections	0.0752
Weighted residual factors for all reflections included in the refinement	0.0794
Goodness-of-fit parameter for all reflections included in the refinement	1.024
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
179588 (current)	2016-03-24	cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/53.	4505341.cif
120110	2014-07-12	Adding DOIs to range 4/50 structures.	4505341.cif
51395	2012-04-07	../uploads/cif-deposit/cod/cif Adding structures of 4505340, 4505341 via cif-deposit CGI script.	4505341.cif