Crystallography Open Database

Information card for entry 4327163

Preview

Coordinates	4327163.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Coenox2-BPYE-H2O
Formula	C12 H14 Co N3 O11
Calculated formula	C12 H14 Co N3 O11
Title of publication	Hydrogen-Bonded Inclusion Compounds with Reversed Polarity: Anionic Metal-Complexes and Cationic Organic Linkers
Authors of publication	M. Jaya Prakash; Slavi C. Sevov
Journal of publication	Inorganic Chemistry
Year of publication	2011
Journal volume	50
Pages of publication	12739 - 12746
a	6.7369 ± 0.0006 Å
b	11.7201 ± 0.001 Å
c	12.3229 ± 0.0011 Å
α	63.138 ± 0.001°
β	77.106 ± 0.002°
γ	80.187 ± 0.002°
Cell volume	843.39 ± 0.13 Å³
Cell temperature	119 ± 2 K
Ambient diffraction temperature	119 ± 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	0.0414
Residual factor for significantly intense reflections	0.0392
Weighted residual factors for significantly intense reflections	0.0982
Weighted residual factors for all reflections included in the refinement	0.0996
Goodness-of-fit parameter for all reflections included in the refinement	1.078
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
179374 (current)	2016-03-23	cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/71.	4327163.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4327163.cif
49942	2012-03-29	../uploads/cif-deposit/cod/cif Adding structures of 4327163 via cif-deposit CGI script.	4327163.cif