Crystallography Open Database

Information card for entry 2229972

Preview

Coordinates	2229972.cif
Structure factors	2229972.hkl
Original IUCr paper	HTML

Structure parameters

Chemical name	<i>catena</i>-Poly[[[[2-(2-pyridyl-κ<i>N</i>)-1<i>H</i>-benzimidazole- κ<i>N</i>^3^]copper(II)]-μ-L-methioninato-κ^3^<i>N</i>,<i>O</i>:<i>O</i>'] perchlorate]
Formula	C17 H19 Cl Cu N4 O6 S
Calculated formula	C17 H19 Cl Cu N4 O6 S
SMILES	[Cu]12([n]3c4ccccc4[nH]c3c3cccc[n]13)([NH2][C@H](C(=O)O2)CCSC)[O]=C1[C@H](CCSC)[NH2][Cu]2([n]3c(c4[n]2c2ccccc2[nH]4)cccc3)O1.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-]
Title of publication	<i>catena</i>-Poly[[[[2-(2-pyridyl-κ<i>N</i>)-1<i>H</i>-benzimidazole-κ<i>N</i>^3^]copper(II)]-μ-<small>L</small>-methioninato-κ^3^<i>N</i>,<i>O</i>:<i>O</i>'] perchlorate]
Authors of publication	Lu, Yan-Mei; Le, Xue-Yi
Journal of publication	Acta Crystallographica Section E
Year of publication	2011
Journal volume	67
Journal issue	5
Pages of publication	m642 - m643
a	6.9718 ± 0.0004 Å
b	11.8902 ± 0.0006 Å
c	24.7024 ± 0.0013 Å
α	90°
β	90°
γ	90°
Cell volume	2047.73 ± 0.19 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	7
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0599
Residual factor for significantly intense reflections	0.0418
Weighted residual factors for significantly intense reflections	0.1026
Weighted residual factors for all reflections included in the refinement	0.1109
Goodness-of-fit parameter for all reflections included in the refinement	1.05
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
181220 (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 2/22/99.	2229972.cif 2229972.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.	2229972.cif 2229972.hkl
120072	2014-07-11	Adding DOIs to range 2 structures.	2229972.cif 2229972.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.	2229972.cif 2229972.hkl
26848	2011-09-28	cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree.	2229972.cif 2229972.hkl
22560	2011-07-04	hkl/ Adding Fobs files for the recent IUCr data deposition.	2229972.cif 2229972.hkl
20031	2011-06-03	../uploads/cif-deposit/cod/cif Adding structures of 2229972 via cif-deposit CGI script.	2229972.cif