Crystallography Open Database

Information card for entry 2227891

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Structure parameters

Chemical name	Poly[(acetato-κ^2^<i>O</i>,<i>O</i>')aqua(μ~4~-1<i>H</i>- benzimidazole-5,6-dicarboxylato- κ^5^<i>N</i>^3^:<i>O</i>^5^,<i>O</i>^5'^:<i>O</i>^5^,<i>O</i>^6^: <i>O</i>^6'^)praseodymium(III)]
Formula	C11 H9 N2 O7 Pr
Calculated formula	C11 H9 N2 O7 Pr
Title of publication	Poly[(acetato-κ^2^<i>O</i>,<i>O</i>')aqua(μ~4~-1<i>H</i>-benzimidazole-5,6-dicarboxylato-κ^5^<i>N</i>^3^:<i>O</i>^5^,<i>O</i>^5'^:<i>O</i>^5^,<i>O</i>^6^:<i>O</i>^6'^)praseodymium(III)]
Authors of publication	Pan, Zi-Yu; Chen, Jin-Hua; Lin, Jian-Fen; Xu, Xuan; Luo, Yi-Fan
Journal of publication	Acta Crystallographica Section E
Year of publication	2010
Journal volume	66
Journal issue	10
Pages of publication	m1302
a	7.4284 ± 0.0005 Å
b	9.0109 ± 0.0007 Å
c	9.7239 ± 0.0007 Å
α	87.075 ± 0.001°
β	86.498 ± 0.001°
γ	84.274 ± 0.001°
Cell volume	645.77 ± 0.08 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 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	0.0287
Residual factor for significantly intense reflections	0.0277
Weighted residual factors for significantly intense reflections	0.0714
Weighted residual factors for all reflections included in the refinement	0.0723
Goodness-of-fit parameter for all reflections included in the refinement	1.044
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
181199 (current)	2016-04-03	hkl/2/22/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/22/78.	2227891.cif 2227891.hkl
176789	2016-02-20	cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/22.	2227891.cif 2227891.hkl
120072	2014-07-11	Adding DOIs to range 2 structures.	2227891.cif 2227891.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.	2227891.cif 2227891.hkl
26848	2011-09-28	cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree.	2227891.cif 2227891.hkl
5269	2010-12-22	hkl/ Adding Fobs data for the recent IUCr-published structres.	2227891.cif 2227891.hkl
4928	2010-12-18	../uploads/cif-deposit/cod/cif Adding structures of 2227891 via cif-deposit CGI script.	2227891.cif