Crystallography Open Database

Information card for entry 2003686

2003685 << 2003686 >> 2003687

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Coordinates	2003686.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	chlorotris(dimethylphenylphosphine)nitrido(trifluoromethanesulfonato)rhenium(V)
Formula	C25 H33 Cl F3 N O3 P3 Re S
Calculated formula	C25 H33 Cl F3 N O3 P3 Re S
SMILES	[Re](Cl)([P](c1ccccc1)(C)C)([P](c1ccccc1)(C)C)([P](c1ccccc1)(C)C)(#N)OS(=O)(=O)C(F)(F)F
Title of publication	<i>mer</i>,<i>cis</i>-Chlorotris(dimethylphenylphosphine)nitrido(trifluoromethylsulfonato)rhenium(V)
Authors of publication	Abram, U.; Walker, I.
Journal of publication	Acta Crystallographica Section C
Year of publication	1995
Journal volume	51
Journal issue	7
Pages of publication	1250 - 1251
a	17.589 ± 0.003 Å
b	10.164 ± 0.001 Å
c	16.807 ± 0.004 Å
α	90°
β	84.16 ± 0.01°
γ	90°
Cell volume	2989.1 ± 0.9 Å³
Cell temperature	213 ± 2 K
Ambient diffraction temperature	213 ± 2 K
Number of distinct elements	9
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	0.0829
Residual factor for significantly intense reflections	0.0513
Weighted residual factors for all reflections	0.1469
Weighted residual factors for significantly intense reflections	0.1201
Goodness-of-fit parameter for all reflections	1.097
Goodness-of-fit parameter for significantly intense reflections	1.046
Diffraction radiation wavelength	0.7093 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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