Crystallography Open Database

Information card for entry 8102527

Preview

Coordinates	8102527.cif

Structure parameters

Chemical name	monoaqua(5-bromoisophthaltate)(2,2'-bipyridine) cobalt(II) monohydrate, [Co(C~8~H~3~O~4~)(C~10~H~8~N~2~)(H~2~O]~n~.0.5n(H~2~O)
Formula	C72 H56 Br4 Co4 N8 O22
Calculated formula	C72 H52 Br4 Co4 N8 O22
Title of publication	Crystal structure of monoaqua(5-bromoisophthalato)-(2,2'-bipyridine)cobalt(II) semihydrate, Co(H2O)(C8H3BrO4)(C10H8N2) · 0.5H2O
Authors of publication	Yun-Ping Li
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2009
Journal volume	224
Journal issue	4
Pages of publication	523
a	8.919 ± 0.003 Å
b	12.747 ± 0.004 Å
c	16.131 ± 0.005 Å
α	90°
β	99.194 ± 0.003°
γ	90°
Cell volume	1810.4 ± 1 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0404
Residual factor for significantly intense reflections	0.0295
Weighted residual factors for significantly intense reflections	0.0725
Weighted residual factors for all reflections included in the refinement	0.0774
Goodness-of-fit parameter for all reflections included in the refinement	1.033
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.	8102527.cif
35911	2012-02-28	cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree.	8102527.cif
13266	2011-03-06	../uploads/cif-deposit/cod/cif Adding structures of 8102527 via cif-deposit CGI script.	8102527.cif