Crystallography Open Database

Information card for entry 2228077

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Structure parameters

Chemical name	<i>catena</i>-Poly[[(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')cadmium(II)]- μ-oxalato-κ^4^<i>O</i>^1^,<i>O</i>^2^:<i>O</i>^1'^,<i>O</i>^2'^]
Formula	C14 H8 Cd N2 O4
Calculated formula	C14 H8 Cd N2 O4
SMILES	[Cd]123(OC(=O)C(=O)O1)([n]1cccc4ccc5ccc[n]2c5c14)[O]=C1C(=[O][Cd]2(O1)[n]1cccc4ccc5ccc[n]2c5c14)O3
Title of publication	<i>catena</i>-Poly[[(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')cadmium(II)]-μ-oxalato-κ^4^<i>O</i>^1^,<i>O</i>^2^:<i>O</i>^1'^,<i>O</i>^2'^]
Authors of publication	Lv, Yao-Kang; Gan, Li-Hua; Cao, Yong-Jie; Gao, Biao-Feng; Chen, Liu-Hua
Journal of publication	Acta Crystallographica Section E
Year of publication	2010
Journal volume	66
Journal issue	11
Pages of publication	m1440
a	9.7199 ± 0.0002 Å
b	10.3338 ± 0.0002 Å
c	13.1638 ± 0.0002 Å
α	90°
β	90°
γ	90°
Cell volume	1322.22 ± 0.04 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	33
Hermann-Mauguin space group symbol	P n a 21
Hall space group symbol	P 2c -2n
Residual factor for all reflections	0.0378
Residual factor for significantly intense reflections	0.0272
Weighted residual factors for significantly intense reflections	0.0612
Weighted residual factors for all reflections included in the refinement	0.0659
Goodness-of-fit parameter for all reflections included in the refinement	1
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
181201 (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 2/22/80.	2228077.cif 2228077.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.	2228077.cif 2228077.hkl
120072	2014-07-11	Adding DOIs to range 2 structures.	2228077.cif 2228077.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.	2228077.cif 2228077.hkl
26848	2011-09-28	cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree.	2228077.cif 2228077.hkl
5269	2010-12-22	hkl/ Adding Fobs data for the recent IUCr-published structres.	2228077.cif 2228077.hkl
5114	2010-12-18	../uploads/cif-deposit/cod/cif Adding structures of 2228077 via cif-deposit CGI script.	2228077.cif