Crystallography Open Database

Information card for entry 2011988

2011987 << 2011988 >> 2011989

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Coordinates	2011988.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	lead heptanoate
Chemical name	catena-poly[[(heptanoato-O,O')lead(II)]-μ-heptanoato-O,O':O]
Formula	C14 H26 O4 Pb
Calculated formula	C14 H26 O4 Pb
SMILES	[Pb]123([O]=C(CCCCCC)O1)[O]=C(CCCCCC)[O]2[Pb]124([O]=C(CCCCCC)O1)[O]3=C(CCCCCC)[O]2[Pb]12([O]4=C(CCCCCC)O1)[O]=C(CCCCCC)O2
Title of publication	Anhydrous lead(II) heptanoate
Authors of publication	Lacouture, Françoise; François, Michel; Didierjean, Claude; Rivera, Jean-Pierre; Rocca, Emmanuel; Steinmetz, Jean
Journal of publication	Acta Crystallographica Section C Crystal Structure Communications
Year of publication	2001
Journal volume	57
Journal issue	5
Pages of publication	530 - 531
a	4.8574 ± 0.001 Å
b	7.3046 ± 0.001 Å
c	23.1846 ± 0.001 Å
α	91.61 ± 0.01°
β	95.66 ± 0.01°
γ	90.99 ± 0.01°
Cell volume	818.1 ± 0.2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.053
Residual factor for significantly intense reflections	0.042
Weighted residual factors for all reflections included in the refinement	0.132
Goodness-of-fit parameter for all reflections included in the refinement	1.034
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
246102 (current)	2019-12-26	cif/2/01/ (saulius@koala.ibt.lt) After checking the original publication and inspecing COD structures, adding the correct structure for the COD 2011988 entry (publication https://doi.org/10.1107/S0108270101001615).	2011988.cif
176760	2016-02-20	cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01.	2011988.cif
125874	2014-10-25	cod/ (saulius@kolibris) Adding DOIs to 358 Acta Cryst. C CIFs, found using ISSN, volume and first page.	2011988.cif
26848	2011-09-28	cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree.	2011988.cif
5310	2011-01-02	cif/ Running cif_fix_enum with the core CIF dictionary on COD ranges 2, 8 and 9. Range 9 remained unchanged, and in ranges 2 and 8 there were 17309 modified files, most changes were fixes enumerator case.	2011988.cif
966	2010-01-30	cif/ Adding _cod_database_code tags to all COD entries. Adding tag description to the cif_cod.dic dictionary so that COD entries can be validated.	2011988.cif
853	2009-11-16	cif/ Reconstructing spacegroup designators from the symmetry operators were possible. The comands used can be found in the log file reformat-spacegroups-2009.11.14.log committed with the current revision. Only lines that contained spacegroup designators were changed, and all files pass vcif test after the conversion.	2011988.cif
19	2008-01-26	Changing all end-of-line codes from DOS style to UNIX style in all COD CIF files, for more convenient processing: In the cod/cif/ directory: ff \*.cif \| xargs perl -i -pe 's/\r\n/\n/'	2011988.cif
14	2008-01-14	Appending a header with SVN keywords, COD URL and copying policy to all COD CIF files.	2011988.cif
13	2008-01-13	Setting the svn:keywords property to "Author Date Revision URL Id" for all CIF files in the cod/cif directory.	2011988.cif
1	2007-11-30	Adding all .cif files from the COD, downloaded in a Cod.zip file on 2007.02.07 (and the same Cod.zip is downloadable today, on 2007.11.29)	2011988.cif