Crystallography Open Database

Information card for entry 4321726

Preview

Coordinates	4321726.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H30 Cl O4 P Re
Calculated formula	C22 H30 Cl O4 P Re
Title of publication	Rhenium Complexes with Weakly Coordinating Solvent Ligands, cis-[Re(PR3)(CO)4(L)][BArF], L = CH2Cl2, Et2O, NC5F5: Decomposition to Chloride-Bridged Dimers in CH2Cl2 Solution
Authors of publication	Jean Huhmann-Vincent; Brian L. Scott; Gregory J. Kubas
Journal of publication	Inorganic Chemistry
Year of publication	1999
Journal volume	38
Pages of publication	115 - 124
a	9.115 ± 0.001 Å
b	11.203 ± 0.001 Å
c	23.195 ± 0.002 Å
α	90°
β	93.589 ± 0.006°
γ	90°
Cell volume	2363.9 ± 0.4 Å³
Cell temperature	193 K
Ambient diffraction temperature	193 K
Number of distinct elements	6
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	0.0454
Residual factor for significantly intense reflections	0.0348
Weighted residual factors for all reflections	0.0892
Weighted residual factors for significantly intense reflections	0.0829
Goodness-of-fit parameter for all reflections	0.896
Goodness-of-fit parameter for significantly intense reflections	0.914
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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