Crystallography Open Database

Information card for entry 2227012

Preview

Coordinates	2227012.cif
Structure factors	2227012.hkl
Original IUCr paper	HTML

Structure parameters

Chemical name	<i>catena</i>-poly[[[(2,2'-bipyridine-2κ^2^<i>N</i>,<i>N</i>')-μ-cyanido- κ^2^1:2<i>N</i>:<i>C</i>-cyanido-2κ<i>C</i>-tris(methanol- 1κ<i>O</i>)(nitrato-1κ^2^<i>O</i>,<i>O</i>')iron(II)yttrium(III)]- di-μ-cyanido-1:2'κ^2^<i>N</i>:<i>C</i>;2:1'κ^2^<i>C</i>:<i>N</i>] methanol solvate hemihydrate]
Formula	C18 H25 Fe N7 O7.5 Y
Calculated formula	C18 H25 Fe N7 O7.5 Y
Title of publication	<i>catena</i>-poly[[[(2,2'-bipyridine-2κ^2^<i>N</i>,<i>N</i>')-μ-cyanido-1:2κ^2^<i>N</i>:<i>C</i>-cyanido-2κ<i>C</i>-tris(methanol-1κ<i>O</i>)(nitrato-1κ^2^<i>O</i>,<i>O</i>')iron(II)yttrium(III)]-di-μ-cyanido-1:2'κ^2^<i>N</i>:<i>C</i>;2:1'κ^2^<i>C</i>:<i>N</i>] methanol solvate hemihydrate]
Authors of publication	Xu, Yan; Shu, He-Qing; Shen, Xiao-Ping
Journal of publication	Acta Crystallographica Section E
Year of publication	2010
Journal volume	66
Journal issue	8
Pages of publication	m1034 - m1035
a	12.803 ± 0.003 Å
b	18.132 ± 0.004 Å
c	10.728 ± 0.002 Å
α	90°
β	103.439 ± 0.003°
γ	90°
Cell volume	2422.2 ± 0.9 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0754
Residual factor for significantly intense reflections	0.0516
Weighted residual factors for significantly intense reflections	0.102
Weighted residual factors for all reflections included in the refinement	0.1068
Goodness-of-fit parameter for all reflections included in the refinement	1.073
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
181191 (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 2/22/70.	2227012.cif 2227012.hkl
176435	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries from ranges 1, 2.	2227012.cif 2227012.hkl
120072	2014-07-11	Adding DOIs to range 2 structures.	2227012.cif 2227012.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.	2227012.cif 2227012.hkl
26848	2011-09-28	cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree.	2227012.cif 2227012.hkl
1704	2010-11-03	hkl/2/ Adding Fobs files for the recently deposited IUCr data.	2227012.cif 2227012.hkl
1553	2010-10-08	cif/2/ Adding data from Acta-Cryst-E-2010_08/.	2227012.cif