Crystallography Open Database

Information card for entry 2006196

2006195 << 2006196 >> 2006197

Preview

Coordinates	2006196.cif
Original IUCr paper	HTML

Structure parameters

Common name	Dichloro-tetrabiphenylcarboxylate-dirhenium
Chemical name	Dichloro tetrakis(μ~2~-2-biphenylcarboxylato) dirhenium(III) - dichloromethane solvate
Formula	C54 H40 Cl6 O8 Re2
Calculated formula	C54 H40 Cl6 O8 Re2
SMILES	[Re]1234(Cl)[O]=C(c5ccccc5c5ccccc5)O[Re]4([O]=C(c4ccccc4c4ccccc4)O1)(OC(=[O]3)c1ccccc1c1ccccc1)([O]=C(O2)c1ccccc1c1ccccc1)Cl.ClCCl.ClCCl
Title of publication	Tetrakis(μ-2-biphenylcarboxylato-<i>O</i>:<i>O</i>')bis[chlororhenium(III)] Bis(dichloromethane) Solvate
Authors of publication	Cotton, F. Albert; Daniels, Lee M.; Liu, Jian; Ren, Tong
Journal of publication	Acta Crystallographica Section C
Year of publication	1997
Journal volume	53
Journal issue	6
Pages of publication	714 - 716
a	11.364 ± 0.003 Å
b	11.372 ± 0.003 Å
c	11.668 ± 0.004 Å
α	76.13 ± 0.02°
β	89.66 ± 0.03°
γ	65.21 ± 0.02°
Cell volume	1321.3 ± 0.7 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0338
Residual factor for significantly intense reflections	0.0314
Weighted residual factors for all reflections	0.0842
Weighted residual factors for significantly intense reflections	0.0826
Goodness-of-fit parameter for all reflections	1.079
Goodness-of-fit parameter for significantly intense reflections	1.091
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

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