Crystallography Open Database

Information card for entry 7011979

7011978 << 7011979 >> 7011980

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Coordinates	7011979.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C6 H16 N2 O6 P2 Pb
Calculated formula	C6 H16 N2 O6 P2 Pb
SMILES	C1[N]2(CP(=O)(O[Pb]32[N](C1)(CP(=O)(O3)O)C)O)C
Title of publication	Building layered structures from hydrogen bonded molecular units and 1D metal phosphonate chains: synthesis, characterization and crystal structures of N,N???-dimethyl-N,N???-ethylenediamine-bis(methylenephosphonic acid), its Ni(ii) and Pb(ii) complexes
Authors of publication	Mao, Jiang-Gao; Wang, Zhike; Clearfield, Abraham
Journal of publication	Journal of the Chemical Society, Dalton Transactions
Year of publication	2002
Journal issue	24
Pages of publication	4541
a	17.202 ± 0.003 Å
b	8.8751 ± 0.0014 Å
c	8.271 ± 0.0013 Å
α	90°
β	105.014 ± 0.003°
γ	90°
Cell volume	1219.6 ± 0.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 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	0.0461
Residual factor for significantly intense reflections	0.0391
Weighted residual factors for significantly intense reflections	0.077
Weighted residual factors for all reflections included in the refinement	0.0785
Goodness-of-fit parameter for all reflections included in the refinement	1.093
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
179823 (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 7/01/19.	7011979.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7011979.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7011979.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.	7011979.cif
3896	2010-12-08	cif/7/ Adding CIFs with data from Dalton-Trans-2004-2000/.	7011979.cif