Crystallography Open Database

Information card for entry 2011940

2011939 << 2011940 >> 2011941

Preview

No preview available: file is not found.

Coordinates	Coordinates are not available: file is not found.
Structure factors	2011940.hkl
Original IUCr paper	HTML

Structure parameters

Formula	C27 H21 Cl3 N2 P Re
Calculated formula	C27 H21 Cl3 N2 P Re
SMILES	[Re]1(Cl)(Cl)(Cl)([P](c2ccccc2)(c2ccccc2)c2ccccc2)[n]2cccc3cccc(N=1)c23
Title of publication	<i>fac</i>-Trichloro(quinolin-8-ylimido-<i>N</i>,<i>N</i>')(triphenylphosphine-<i>P</i>)rhenium(V)
Authors of publication	Miyashita, Yoshitaro; Mahboob, Nagina; Tsuboi, Satoko; Yamada, Yasunori; Fujisawa, Kiyoshi; Okamoto, Ken-ichi
Journal of publication	Acta Crystallographica Section C
Year of publication	2001
Journal volume	57
Journal issue	5
Pages of publication	558 - 559
a	17.624 ± 0.005 Å
b	27.665 ± 0.005 Å
c	10.428 ± 0.003 Å
α	90°
β	94.52 ± 0.02°
γ	90°
Cell volume	5069 ± 2 Å³
Cell temperature	296.2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/a 1
Hall space group symbol	-P 2yab
Residual factor for significantly intense reflections	0.0483
Weighted residual factors for all reflections included in the refinement	0.1265
Goodness-of-fit parameter for all reflections included in the refinement	0.973
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

Version history

Version history is temporarily not available due to server issues.