Crystallography Open Database

Information card for entry 2230519

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Structure parameters

Chemical name	Di-μ-benzoato- κ^3^<i>O</i>,<i>O</i>':<i>O</i>;κ^3^<i>O</i>:<i>O</i>,<i>O</i>'- bis[(benzoato-κ^2^<i>O</i>,<i>O</i>')(1,10-phenanthroline- κ^2^<i>N</i>,<i>N</i>')lead(II)]
Formula	C52 H36 N4 O8 Pb2
Calculated formula	C52 H36 N4 O8 Pb2
SMILES	c1ccc2c(c3c(cc2)ccc[n]23)[n]1[Pb]213(OC(=[O]1)c1ccccc1)OC(=[O]3)c1ccccc1
Title of publication	Di-μ-benzoato-κ^3^<i>O</i>,<i>O</i>':<i>O</i>;κ^3^<i>O</i>:<i>O</i>,<i>O</i>'-bis[(benzoato-κ^2^<i>O</i>,<i>O</i>')(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')lead(II)]
Authors of publication	Li, Hong-Jin; Gao, Zhu-Qing; Gu, Jin-Zhong
Journal of publication	Acta Crystallographica Section E
Year of publication	2011
Journal volume	67
Journal issue	6
Pages of publication	m778
a	9.011 ± 0.003 Å
b	10.923 ± 0.003 Å
c	11.92 ± 0.004 Å
α	83.76 ± 0.003°
β	87.626 ± 0.003°
γ	71.601 ± 0.003°
Cell volume	1106.6 ± 0.6 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0498
Residual factor for significantly intense reflections	0.0335
Weighted residual factors for significantly intense reflections	0.0657
Weighted residual factors for all reflections included in the refinement	0.0688
Goodness-of-fit parameter for all reflections included in the refinement	0.964
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

Version history

Revision	Date	Message	Files
181227 (current)	2016-04-03	hkl/2/23/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23/05.	2230519.cif 2230519.hkl
176798	2016-02-21	cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23.	2230519.cif 2230519.hkl
120072	2014-07-11	Adding DOIs to range 2 structures.	2230519.cif 2230519.hkl
88064	2013-08-29	Adding _cod_database_fobs_code data item to all COD CIFs that have Fobs deposited and did not have this data item yet.	2230519.cif 2230519.hkl
26848	2011-09-28	cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree.	2230519.cif 2230519.hkl
22560	2011-07-04	hkl/ Adding Fobs files for the recent IUCr data deposition.	2230519.cif 2230519.hkl
22512	2011-07-04	../uploads/cif-deposit/cod/cif Adding structures of 2230519 via cif-deposit CGI script.	2230519.cif