Crystallography Open Database

Information card for entry 2228471

Preview

Coordinates	2228471.cif
Structure factors	2228471.hkl
Original IUCr paper	HTML

Structure parameters

Chemical name	<i>catena</i>-Poly[[[diaqua(nitrato-κ^2^<i>O</i>,<i>O</i>')(2,2':6',2''- terpyridine-κ^3^<i>N</i>,<i>N</i>',<i>N</i>'')ytterbium(III)]-μ-cyanido- κ^2^<i>N</i>:<i>C</i>-[dicyanidoplatinum(II)]-μ-cyanido- κ^2^<i>C</i>:<i>N</i>] acetonitrile monosolvate]
Formula	C21 H18 N9 O5 Pt Yb
Calculated formula	C21 H18 N9 O5 Pt Yb
SMILES	[Yb]123([n]4ccccc4c4cccc(c5cccc[n]25)[n]14)(ON(=[O]3)=O)([OH2])([OH2])[N]#C[Pt](C#N)(C#N)C#[N][Yb]123([n]4ccccc4c4cccc(c5cccc[n]25)[n]14)(ON(=[O]3)=O)([OH2])([OH2])[N]#C[Pt](C#N)(C#N)C#N.C(#N)C.C(#N)C
Title of publication	<i>catena</i>-Poly[[[diaqua(nitrato-κ^2^<i>O</i>,<i>O</i>')(2,2':6',2''-terpyridine-κ^3^<i>N</i>,<i>N</i>',<i>N</i>'')ytterbium(III)]-μ-cyanido-κ^2^<i>N</i>:<i>C</i>-[dicyanidoplatinum(II)]-μ-cyanido-κ^2^<i>C</i>:<i>N</i>] acetonitrile monosolvate]
Authors of publication	Smith, Philip A.; Stojanovic, Milorad; Sykora, Richard E.
Journal of publication	Acta Crystallographica Section E
Year of publication	2010
Journal volume	66
Journal issue	12
Pages of publication	m1619 - m1620
a	9.081 ± 0.0003 Å
b	10.1939 ± 0.0003 Å
c	14.4718 ± 0.0006 Å
α	79.083 ± 0.003°
β	72.689 ± 0.003°
γ	78.66 ± 0.003°
Cell volume	1241.7 ± 0.08 Å³
Cell temperature	290 ± 2 K
Ambient diffraction temperature	290 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0286
Residual factor for significantly intense reflections	0.0235
Weighted residual factors for significantly intense reflections	0.0575
Weighted residual factors for all reflections included in the refinement	0.0587
Goodness-of-fit parameter for all reflections included in the refinement	1.07
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
181205 (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 2/22/84.	2228471.cif 2228471.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.	2228471.cif 2228471.hkl
120072	2014-07-11	Adding DOIs to range 2 structures.	2228471.cif 2228471.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.	2228471.cif 2228471.hkl
26848	2011-09-28	cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree.	2228471.cif 2228471.hkl
11387	2011-02-15	hkl/: Adding Reflection data for the recently deposited IUCr-originating structures.	2228471.cif 2228471.hkl
5790	2011-01-06	../uploads/cif-deposit/cod/cif Adding structures of 2228462, 2228463, 2228464, 2228465, 2228466, 2228467, 2228468, 2228469, 2228470, 2228471 via cif-deposit CGI script.	2228471.cif