Crystallography Open Database

Information card for entry 2230006

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Structure parameters

Chemical name	<i>catena</i>-Poly[[dinitratocopper(II)]-μ-4,4''-bis(1<i>H</i>- benzimidazol-1-yl)-1,1':4',1''-terphenyl]
Formula	C32 H22 Cu N6 O6
Calculated formula	C32 H22 Cu N6 O6
SMILES	[Cu]12(ON(=O)=[O]1)(ON(=O)=[O]2)([n]1cn(c2c1cccc2)c1ccc(cc1)c1ccc(cc1)c1ccc(cc1)n1cnc2c1cccc2)[n]1cn(c2c1cccc2)c1ccc(cc1)c1ccc(cc1)c1ccc(cc1)n1c[n](c2ccccc12)[Cu]12(ON(=O)=[O]1)ON(=O)=[O]2
Title of publication	<i>catena</i>-Poly[[dinitratocopper(II)]-μ-4,4''-bis(1<i>H</i>-benzimidazol-1-yl)-1,1':4',1''-terphenyl]
Authors of publication	Jiang, Hong-Shi; Li, Hui; Wang, Jian; Ma, Hui-Xuan; Zhang, Zhe
Journal of publication	Acta Crystallographica Section E
Year of publication	2011
Journal volume	67
Journal issue	5
Pages of publication	m603
a	14.96 ± 0.003 Å
b	15.237 ± 0.003 Å
c	12.139 ± 0.002 Å
α	90°
β	103.94 ± 0.03°
γ	90°
Cell volume	2685.5 ± 0.9 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.047
Residual factor for significantly intense reflections	0.0436
Weighted residual factors for significantly intense reflections	0.1212
Weighted residual factors for all reflections included in the refinement	0.1238
Goodness-of-fit parameter for all reflections included in the refinement	1.09
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
181222 (current)	2016-04-03	hkl/2/23/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23/00.	2230006.cif 2230006.hkl
176798	2016-02-21	cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23.	2230006.cif 2230006.hkl
120072	2014-07-11	Adding DOIs to range 2 structures.	2230006.cif 2230006.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.	2230006.cif 2230006.hkl
26848	2011-09-28	cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree.	2230006.cif 2230006.hkl
22560	2011-07-04	hkl/ Adding Fobs files for the recent IUCr data deposition.	2230006.cif 2230006.hkl
20071	2011-06-03	../uploads/cif-deposit/cod/cif Adding structures of 2230006 via cif-deposit CGI script.	2230006.cif