Crystallography Open Database

Information card for entry 7002837

Preview

Coordinates	7002837.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C78 H72 Cu8 I8 P8
Calculated formula	C78 H72 Cu8 I8 P8
SMILES	C1[P](c2ccccc2)(c2ccccc2)[Cu]234[I]56[Cu]78[P]1(C[P]1(C[P](c9ccccc9)(c9ccccc9)[Cu]9%10%11[I]%12%13[Cu]9%14([I]%10[Cu]1%12[I]8[Cu]1%13[I]7[Cu]76[I]2[Cu]45([I]3)[P](C[P]7(C[P]1(C[P]%14(c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)[I]%11)c1ccccc1)c1ccccc1
Title of publication	Interconversion between ladder-type octanuclear and linear tetranuclear copper(i) complexes supported by tetraphosphine ligands
Authors of publication	Takemura, Yukie; Nakajima, Takayuki; Tanase, Tomoaki
Journal of publication	Dalton Transactions
Year of publication	2009
Journal issue	46
Pages of publication	10231 - 10243
a	12.395 ± 0.004 Å
b	14.453 ± 0.005 Å
c	23.562 ± 0.008 Å
α	90°
β	93.1976 ± 0.001°
γ	90°
Cell volume	4214 ± 2 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	153 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for significantly intense reflections	0.0577
Weighted residual factors for all reflections included in the refinement	0.1388
Goodness-of-fit parameter for all reflections included in the refinement	1.036
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176453 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7002837.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7002837.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7002837.cif
1143	2010-05-03	cif/7/ Adding CIFs from Dalton-Trans-2009/ deposition.	7002837.cif