Crystallography Open Database

Information card for entry 8102721

Preview

Coordinates	8102721.cif

Structure parameters

Chemical name	(5-methoxyisophthalato)-(1,2-bi(4- pyridyl)ethane)cobalt(II), Zn(C~9~H~6~O~5~)(C~12~H~12~N~2~)
Formula	C21 H18 Co N2 O5
Calculated formula	C21 H18 Co N2 O5
Title of publication	Crystal structure of (5-methoxyisophthalato)-(1,2-bi(4-pyridyl)ethane)cobalt(II), Co(C9H6O5)(C12H12N2)
Authors of publication	Xiao-Dong Li; Xiao-Yi Yang
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2010
Journal volume	225
Journal issue	3
Pages of publication	493
a	9.6662 ± 0.0012 Å
b	10.1637 ± 0.0013 Å
c	11.4612 ± 0.0015 Å
α	74.375 ± 0.001°
β	79.374 ± 0.002°
γ	65.297 ± 0.001°
Cell volume	981.8 ± 0.2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.0471
Residual factor for significantly intense reflections	0.0372
Weighted residual factors for significantly intense reflections	0.0822
Weighted residual factors for all reflections included in the refinement	0.0879
Goodness-of-fit parameter for all reflections included in the refinement	1.049
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
176728 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 8.	8102721.cif
35911	2012-02-28	cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree.	8102721.cif
13460	2011-03-06	../uploads/cif-deposit/cod/cif Adding structures of 8102721 via cif-deposit CGI script.	8102721.cif