Crystallography Open Database

Information card for entry 2234490

Preview

Coordinates	2234490.cif
Structure factors	2234490.hkl
Original IUCr paper	HTML

Structure parameters

Chemical name	Poly[di-μ~3~-chlorido-di-μ~2~-chlorido-{μ~4~- <i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'- tetrakis[(diphenylphosphanyl)methyl]benzene-1,4-diamine- κ^4^<i>P</i>:<i>P</i>':<i>P</i>'':<i>P</i>'''}tetracopper(II)]
Formula	C58 H52 Cl4 Cu4 N2 P4
Calculated formula	C58 H52 Cl4 Cu4 N2 P4
SMILES	[Cu]123[Cl]([Cu]([Cl]1)[P](CN1c4ccc(N(C[P]2(c2ccccc2)c2ccccc2)C[P](c2ccccc2)(c2ccccc2)[Cu]2[Cl]5[Cu]([Cl]2)([P](C1)(c1ccccc1)c1ccccc1)[Cl]1[Cu]5([Cl][Cu]12)[P](CN(c1ccc(cc1)N(C[P]2(c1ccccc1)c1ccccc1)CP(c1ccccc1)c1ccccc1)CP(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)cc4)(c1ccccc1)c1ccccc1)[Cu]1[Cl]3[Cu][Cl]1
Title of publication	Poly[di-μ~3~-chlorido-di-μ~2~-chlorido-{μ~4~-<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-tetrakis[(diphenylphosphanyl)methyl]benzene-1,4-diamine-κ^4^<i>P</i>:<i>P</i>':<i>P</i>'':<i>P</i>'''}tetracopper(II)]
Authors of publication	Liu, Jia-Qin; Zhang, Yan; Lü, Ya-Jing; Jiang, Zhen-Jü
Journal of publication	Acta Crystallographica Section E
Year of publication	2012
Journal volume	68
Journal issue	4
Pages of publication	m430
a	10.298 ± 0.007 Å
b	17.649 ± 0.012 Å
c	18.009 ± 0.009 Å
α	90°
β	123.94 ± 0.03°
γ	90°
Cell volume	2715 ± 3 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 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	0.1079
Residual factor for significantly intense reflections	0.0541
Weighted residual factors for significantly intense reflections	0.1237
Weighted residual factors for all reflections included in the refinement	0.1428
Goodness-of-fit parameter for all reflections included in the refinement	0.943
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
181266 (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 2/23/44.	2234490.cif 2234490.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.	2234490.cif 2234490.hkl
120072	2014-07-11	Adding DOIs to range 2 structures.	2234490.cif 2234490.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.	2234490.cif 2234490.hkl
66590	2012-09-11	hkl/ Adding assigned .htl files for the most recent IUCr data depositions.	2234490.cif 2234490.hkl
55768	2012-05-05	cif/ Adding structures of 2234490 via cif-deposit CGI script.	2234490.cif