Crystallography Open Database

Information card for entry 2237119

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Structure parameters

Chemical name	<i>catena</i>-Poly[[[<i>O</i>,<i>O</i>'-bis(2-methylphenyl) dithiophosphato- κ^2^<i>S</i>,<i>S</i>]lead(II)]-μ-<i>O</i>,<i>O</i>'-bis(2-methylphenyl) dithiophosphato-κ^3^<i>S</i>,<i>S</i>':<i>S</i>]
Formula	C28 H28 O4 P2 Pb S4
Calculated formula	C28 H28 O4 P2 Pb S4
Title of publication	<i>catena</i>-Poly[[[<i>O</i>,<i>O</i>'-bis(2-methylphenyl) dithiophosphato-κ^2^<i>S</i>,<i>S</i>]lead(II)]-μ-<i>O</i>,<i>O</i>'-bis(2-methylphenyl) dithiophosphato-κ^3^<i>S</i>,<i>S</i>':<i>S</i>]
Authors of publication	Butcher, Ray J.; Ratnani, Raju; Öztürk Yildirim, Sema; Falola, Oluwaseun
Journal of publication	Acta Crystallographica Section E
Year of publication	2013
Journal volume	69
Journal issue	1
Pages of publication	m29 - m30
a	12.0263 ± 0.0006 Å
b	10.742 ± 0.0004 Å
c	13.0499 ± 0.0008 Å
α	90°
β	112.849 ± 0.006°
γ	90°
Cell volume	1553.58 ± 0.15 Å³
Cell temperature	123 ± 2 K
Ambient diffraction temperature	123 ± 2 K
Number of distinct elements	6
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0326
Residual factor for significantly intense reflections	0.0303
Weighted residual factors for significantly intense reflections	0.0731
Weighted residual factors for all reflections included in the refinement	0.075
Goodness-of-fit parameter for all reflections included in the refinement	1.029
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	Yes

Version history

Revision	Date	Message	Files
181293 (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 2/23/71.	2237119.cif 2237119.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.	2237119.cif 2237119.hkl
120072	2014-07-11	Adding DOIs to range 2 structures.	2237119.cif 2237119.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.	2237119.cif 2237119.hkl
75609	2013-03-10	hkl/ (saulius@koala.ibt.lt) Adding newly assigned range 2 Fobs files.	2237119.cif 2237119.hkl
73328	2013-02-20	cif/ Adding structures of 2237119 via cif-deposit CGI script.	2237119.cif