Crystallography Open Database

Information card for entry 2234679

Preview

Coordinates	2234679.cif
Structure factors	2234679.hkl
Original IUCr paper	HTML

Structure parameters

Chemical name	<i>catena</i>-Poly[[(2,2'-bipyidine-2κ^2^<i>N</i>,<i>N</i>')-μ-cyanido- 1:2κ^2^<i>N</i>:<i>C</i>-dicopper(I)]-μ-bromido-[(2,2'-bipyidine- 2κ^2^<i>N</i>,<i>N</i>')-μ-cyanido-1:2κ^2^<i>N</i>:<i>C</i>-dicopper(I)]- μ-cyanido-κ^2^<i>N</i>:<i>C</i>]
Formula	C23 H16 Br Cu4 N7
Calculated formula	C23 H16 Br Cu4 N7
SMILES	[Cu]1([n]2c(c3[n]1cccc3)cccc2)C#[N][Cu]([Br][Cu]([N]#C[Cu]1[n]2c(c3[n]1cccc3)cccc2)[N]#C[Cu]([Br][Cu][N]#C[Cu]1[n]2c(c3[n]1cccc3)cccc2)[N]#C[Cu]1[n]2c(c3[n]1cccc3)cccc2)C#N
Title of publication	<i>catena</i>-Poly[[(2,2'-bipyidine-2κ^2^<i>N</i>,<i>N</i>')-μ-cyanido-1:2κ^2^<i>N</i>:<i>C</i>-dicopper(I)]-μ-bromido-[(2,2'-bipyidine-2κ^2^<i>N</i>,<i>N</i>')-μ-cyanido-1:2κ^2^<i>N</i>:<i>C</i>-dicopper(I)]-μ-cyanido-κ^2^<i>N</i>:<i>C</i>]
Authors of publication	Gu, Jia; Jiang, Xuee; Su, Zhanhua; Zhou, Baibin
Journal of publication	Acta Crystallographica Section E
Year of publication	2012
Journal volume	68
Journal issue	5
Pages of publication	m693
a	10.0074 ± 0.001 Å
b	17.7556 ± 0.0017 Å
c	14.5125 ± 0.0014 Å
α	90°
β	102.924 ± 0.001°
γ	90°
Cell volume	2513.4 ± 0.4 Å³
Cell temperature	273 ± 2 K
Ambient diffraction temperature	273 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0817
Residual factor for significantly intense reflections	0.0352
Weighted residual factors for significantly intense reflections	0.0697
Weighted residual factors for all reflections included in the refinement	0.0839
Goodness-of-fit parameter for all reflections included in the refinement	0.999
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
181268 (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 2/23/46.	2234679.cif 2234679.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.	2234679.cif 2234679.hkl
120072	2014-07-11	Adding DOIs to range 2 structures.	2234679.cif 2234679.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.	2234679.cif 2234679.hkl
66590	2012-09-11	hkl/ Adding assigned .htl files for the most recent IUCr data depositions.	2234679.cif 2234679.hkl
60159	2012-06-14	cif/ Adding structures of 2234679 via cif-deposit CGI script.	2234679.cif