Crystallography Open Database

Information card for entry 7203172

7203171 << 7203172 >> 7203173

Preview

Coordinates	7203172.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C15 H17 Cl Mn N2 O5
Calculated formula	C15 H17 Cl Mn N2 O5
SMILES	[Mn]12([OH2])([OH2])(OC(=O)C([OH]1)C)[n]1cccc3c1c1[n]2cccc1cc3.[Cl-]
Title of publication	Supramolecular architectures of neutral and cationic complexes of transition metals with lactate and 1,10-phenanthroline
Authors of publication	Covelo, Berta; Carballo, Rosa; Vázquez-López, Ezequiel M.; García-Martínez, Emilia; Castiñeiras, Alfonso; Balboa, Susana; Niclós, Juan
Journal of publication	CrystEngComm
Year of publication	2006
Journal volume	8
Journal issue	2
Pages of publication	167
a	7.9432 ± 0.0007 Å
b	9.6697 ± 0.0008 Å
c	22.3743 ± 0.0019 Å
α	90°
β	92.791 ± 0.002°
γ	90°
Cell volume	1716.5 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.0631
Residual factor for significantly intense reflections	0.0353
Weighted residual factors for significantly intense reflections	0.0724
Weighted residual factors for all reflections included in the refinement	0.0779
Goodness-of-fit parameter for all reflections included in the refinement	0.916
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
180362 (current)	2016-03-26	cif/7/20/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/20/31.	7203172.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7203172.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7203172.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.	7203172.cif
1504	2010-09-08	cif/7/ Adding data extracted from RSC 2005 and 2006 year publications.	7203172.cif