Crystallography Open Database

Information card for entry 4311637

Preview

Coordinates	4311637.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	cis-(Adeninato-κN^9^)chlorobis(ethane-1,2-diamine)cobalt(III) Chloride Methanol Solvate
Formula	C10 H24 Cl2 Co N9 O
Calculated formula	C10 H24 Cl2 Co N9 O
SMILES	[Co]12(Cl)(n3c4ncnc(N)c4nc3)([NH2]CC[NH2]1)[NH2]CC[NH2]2.[Cl-].OC
Title of publication	Cobalt(III) Complexes of Monodentate N(9)-Bound Adeninate (ade-), [Co(ade-κN9)Cl(en)2]+ (en = 1,2-Diaminoethane): Syntheses, Crystal Structures, and Protonation Behaviors of the Geometrical Isomers
Authors of publication	Takayoshi Suzuki; Yoko Hirai; Hideaki Monjushiro; Sumio Kaizaki
Journal of publication	Inorganic Chemistry
Year of publication	2004
Journal volume	43
Pages of publication	6435 - 6444
a	23.367 ± 0.005 Å
b	7.852 ± 0.002 Å
c	19.576 ± 0.004 Å
α	90°
β	102.751 ± 0.015°
γ	90°
Cell volume	3503.2 ± 1.4 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	6
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	0.0666
Residual factor for significantly intense reflections	0.0508
Weighted residual factors for significantly intense reflections	0.1357
Weighted residual factors for all reflections included in the refinement	0.1492
Goodness-of-fit parameter for all reflections included in the refinement	1.041
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179155 (current)	2016-03-23	cif/4/31/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/31/16.	4311637.cif
120093	2014-07-12	Adding DOIs to range 4/31 structures.	4311637.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4311637.cif
5312	2011-01-03	cif/ Adding files, updated with the 'cif_fix_enum' program and the cif_core.dic dictionary. The enumerator values were fixed, mostly incorrect case, but also some values that had extra underscores, dashes or spaces. Unfortunately, 22 had non-ASCII characters with the 8-th bit set, and these got incorrectly interpreted as latin1 characters and converted to their UTF8 equivalents by Perl. To fix the structures, however, they need to be redeposited from the original files with the new CIFParser/cif_filter version.	4311637.cif
3136	2010-11-13	../uploads/cif-deposit/cod/cif Adding structures of 4311637 via cif-deposit CGI script.	4311637.cif