Crystallography Open Database

Information card for entry 7011219

Preview

Coordinates	7011219.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C48 H54 Cl Cu N4 O4 P2
Calculated formula	C48 H54 Cl Cu N4 O4 P2
SMILES	[Cu]12([P](c3ccccc3)(c3ccccc3)CN(c3[n]1cccc3)C1CCCCC1)[P](c1ccccc1)(c1ccccc1)CN(c1[n]2cccc1)C1CCCCC1.Cl(=O)(=O)(=O)[O-]
Title of publication	Synthesis and structural study of late transition metal complexes of N-[(diphenylphosphino)methyl]-2-pyridinamine and N-cyclohexyl-N-[(diphenylphosphino)methyl]-2-pyridinamine
Authors of publication	Hai-Bin Song; Zheng-Zhi Zhang; Thomas C. W. Mak
Journal of publication	J. Chem. Soc., Dalton Trans.
Year of publication	2002
Journal issue	7
Pages of publication	1336 - 1343
a	15.0567 ± 0.0008 Å
b	11.0961 ± 0.0006 Å
c	26.8423 ± 0.0013 Å
α	90°
β	90.723 ± 0.001°
γ	90°
Cell volume	4484.2 ± 0.4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	7
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	0.0919
Residual factor for significantly intense reflections	0.0485
Weighted residual factors for significantly intense reflections	0.1112
Weighted residual factors for all reflections included in the refinement	0.1286
Goodness-of-fit parameter for all reflections included in the refinement	0.913
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
179816 (current)	2016-03-25	cif/7/01/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/01/12.	7011219.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7011219.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7011219.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.	7011219.cif
3896	2010-12-08	cif/7/ Adding CIFs with data from Dalton-Trans-2004-2000/.	7011219.cif