Crystallography Open Database

Information card for entry 4505825

Preview

Coordinates	4505825.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25 H64 Co3 N2 O39
Calculated formula	C25 H64 Co3 N2 O39
Title of publication	Novel Sandwich Coordination Polymers Composed of Cobalt(II), 1,2,4,5-Benzenetetracarboxylato Ligands, and Homopiperazonium Cations
Authors of publication	Cheng, Deping; Khan, Masood A.; Houser, Robert P.
Journal of publication	Crystal Growth & Design
Year of publication	2002
Journal volume	2
Journal issue	5
Pages of publication	415
a	9.823 ± 0.004 Å
b	11.587 ± 0.004 Å
c	20.385 ± 0.007 Å
α	95.1 ± 0.02°
β	92.423 ± 0.019°
γ	98.9 ± 0.02°
Cell volume	2279.5 ± 1.5 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.087
Residual factor for significantly intense reflections	0.0713
Weighted residual factors for significantly intense reflections	0.211
Weighted residual factors for all reflections included in the refinement	0.2273
Goodness-of-fit parameter for all reflections included in the refinement	1.103
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
179594 (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 4/50/58.	4505825.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4505825.cif
53946	2012-04-20	cif/ Adding structures of 4505825, 4505826 via cif-deposit CGI script.	4505825.cif