Crystallography Open Database

Information card for entry 7002838

Preview

Coordinates	7002838.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C80 H72 Cl6 Cu8 F6 O6 P8 S2
Calculated formula	C80 H72 Cl6 Cu8 F6 O6 P8 S2
SMILES	c1cc([P]2([Cu]3[Cl]4[Cu]56[P](C[P]7(C[P](c8ccccc8)(c8ccccc8)[Cu](OS(=O)(=O)C(F)(F)F)[Cl]8[Cu]9[P](C[P]%10(C[P]%11(C[P](c%12ccccc%12)(c%12ccccc%12)[Cu](OS(=O)(=O)C(F)(F)F)[Cl]3[Cu]4%11[Cl]5[Cu]5%10[Cl]9[Cu]78[Cl]65)c3ccccc3)c3ccccc3)(c3ccccc3)c3ccccc3)c3ccccc3)(C2)c2ccccc2)c2ccccc2)ccc1
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	12.222 ± 0.004 Å
b	14.096 ± 0.005 Å
c	24.83 ± 0.009 Å
α	90°
β	95.3499 ± 0.0011°
γ	90°
Cell volume	4259 ± 3 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	153 ± 2 K
Number of distinct elements	8
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	0.0824
Weighted residual factors for all reflections included in the refinement	0.1814
Goodness-of-fit parameter for all reflections included in the refinement	1.383
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.	7002838.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7002838.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7002838.cif
1143	2010-05-03	cif/7/ Adding CIFs from Dalton-Trans-2009/ deposition.	7002838.cif