Crystallography Open Database

Information card for entry 8102386

Preview

Coordinates	8102386.cif

Structure parameters

Formula	C34 H28 Co N4 O6
Calculated formula	C34 H28 Co N4 O6
SMILES	[Co]123(OC(=O)c4ccccc4c4ccccc4C(=O)O1)([n]1ccccc1c1[n]2cccc1)[n]1ccccc1c1[n]3cccc1.O.O
Title of publication	Crystal structure of bis(2,2'-bipyridyl-N,N')-(2,2'-diphenyldicarboxylato-O,O')cobalt(II) dihydrate, Co(C10H8N2)2(C14H8O4) · 2H2O
Authors of publication	Qiao-Chu Zhang; Xi-Yuan Yan; Mu-Wang Chen
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2009
Journal volume	224
Journal issue	2
Pages of publication	174
a	38.838 ± 0.006 Å
b	8.0227 ± 0.0012 Å
c	20.319 ± 0.003 Å
α	90°
β	107.665 ± 0.002°
γ	90°
Cell volume	6032.6 ± 1.6 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0949
Residual factor for significantly intense reflections	0.0573
Weighted residual factors for significantly intense reflections	0.1269
Weighted residual factors for all reflections included in the refinement	0.1609
Goodness-of-fit parameter for all reflections included in the refinement	0.859
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
211175 (current)	2018-09-26	cif/ Removing _chemical_name_systematic and _chemical_name_common data items with placeholder values from 513 entries in range 8.	8102386.cif
176728	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.	8102386.cif
35911	2012-02-28	cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree.	8102386.cif
13125	2011-03-06	../uploads/cif-deposit/cod/cif Adding structures of 8102386 via cif-deposit CGI script.	8102386.cif