Crystallography Open Database

Information card for entry 2231882

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Coordinates	2231882.cif
Structure factors	2231882.hkl
Original IUCr paper	HTML

Structure parameters

Chemical name	<i>catena</i>-Poly[[(triphenylphosphane)copper(I)]-di-μ-iodido- [(triphenylphosphane)copper(I)]-μ-{1,2-bis[1-(pyridin- 4-yl)ethylidene]hydrazine}]
Formula	C50 H44 Cu2 I2 N4 P2
Calculated formula	C50 H44 Cu2 I2 N4 P2
SMILES	[I]1[Cu]([P](c2ccccc2)(c2ccccc2)c2ccccc2)([I][Cu]1([P](c1ccccc1)(c1ccccc1)c1ccccc1)[n]1ccc(cc1)C(C)=NN=C(C)c1cc[n](cc1)[Cu]1([P](c2ccccc2)(c2ccccc2)c2ccccc2)[I][Cu]([I]1)[P](c1ccccc1)(c1ccccc1)c1ccccc1)[n]1ccc(cc1)C(=NN=C(c1ccncc1)C)C
Title of publication	<i>catena</i>-Poly[[(triphenylphosphane)copper(I)]-di-μ-iodido-[(triphenylphosphane)copper(I)]-μ-{1,2-bis[1-(pyridin-4-yl)ethylidene]hydrazine}]
Authors of publication	Fun, Hoong-Kun; Loh, Wan-Sin; Patra, Goutam K.; Mukherjee, Anindita; Pal, Pankaj K.
Journal of publication	Acta Crystallographica Section E
Year of publication	2011
Journal volume	67
Journal issue	10
Pages of publication	m1389
a	9.2788 ± 0.0004 Å
b	11.4322 ± 0.0005 Å
c	12.4204 ± 0.0005 Å
α	74.566 ± 0.002°
β	76.69 ± 0.002°
γ	72.067 ± 0.002°
Cell volume	1192.41 ± 0.09 Å³
Cell temperature	100 ± 0.1 K
Ambient diffraction temperature	100 ± 0.1 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0378
Residual factor for significantly intense reflections	0.0324
Weighted residual factors for significantly intense reflections	0.0824
Weighted residual factors for all reflections included in the refinement	0.0863
Goodness-of-fit parameter for all reflections included in the refinement	1.047
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
181240 (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 2/23/18.	2231882.cif 2231882.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.	2231882.cif 2231882.hkl
120072	2014-07-11	Adding DOIs to range 2 structures.	2231882.cif 2231882.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.	2231882.cif 2231882.hkl
29951	2011-11-08	hkl/ Adding the most recent Fobs data from the IUCr journals.	2231882.cif 2231882.hkl
29130	2011-11-02	../uploads/cif-deposit/cod/cif Adding structures of 2231882 via cif-deposit CGI script.	2231882.cif