Crystallography Open Database

Information card for entry 2005244

2005243 << 2005244 >> 2005245

Preview

Coordinates	2005244.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	(OC-6-2'3'-C)-Chlorobis[2-(diphenylphosphino)phenolato]oxorhenium(V)
Formula	C36 H28 Cl O3 P2 Re
Calculated formula	C36 H28 Cl O3 P2 Re
SMILES	[Re]12(Cl)(=O)(Oc3c(cccc3)[P]1(c1ccccc1)c1ccccc1)Oc1c(cccc1)[P]2(c1ccccc1)c1ccccc1
Title of publication	Chlorobis[2-(diphenylphosphino)phenolato-<i>O</i>,<i>P</i>]oxorhenium(V)
Authors of publication	Loiseau, F.; Lucchese, Y.; Dartiguenave, M.; Bélanger-Gariépy, F.; Beauchamp, A. L.
Journal of publication	Acta Crystallographica Section C
Year of publication	1996
Journal volume	52
Journal issue	8
Pages of publication	1968 - 1971
a	10.223 ± 0.003 Å
b	14.096 ± 0.003 Å
c	21.454 ± 0.008 Å
α	90°
β	90°
γ	90°
Cell volume	3091.6 ± 1.6 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0393
Residual factor for significantly intense reflections	0.031
Weighted residual factors for all reflections	0.065
Weighted residual factors for significantly intense reflections	0.0625
Goodness-of-fit parameter for all reflections	0.74
Goodness-of-fit parameter for significantly intense reflections	0.781
Diffraction radiation wavelength	1.54056 Å
Diffraction radiation type	CopperKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Version history is temporarily not available due to server issues.