Crystallography Open Database

Information card for entry 2311277

Preview

Coordinates	2311277.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H35 Cl N O2 P2 Re
Calculated formula	C21 H35 Cl N O2 P2 Re
Title of publication	Non-order-disorder allotwinning of the rhenium pincer complex cis-Re[(PNP<sup>CH<sub>2</sub></sup>-iPr)(CO)<sub>2</sub>Cl].
Authors of publication	Glatz, Mathias; Stöger, Berthold; Kirchner, Karl
Journal of publication	Acta crystallographica Section B, Structural science, crystal engineering and materials
Year of publication	2017
Journal volume	73
Journal issue	Pt 5
Pages of publication	941 - 949
a	18.6854 ± 0.0013 Å
b	10.7708 ± 0.0008 Å
c	25.599 ± 0.003 Å
α	90°
β	107.48 ± 0.004°
γ	90°
Cell volume	4914.1 ± 0.8 Å³
Cell temperature	200 K
Ambient diffraction temperature	200 K
Number of distinct elements	7
Space group number	15
Hermann-Mauguin space group symbol	I 1 2/a 1
Hall space group symbol	-I 2ya
Residual factor for all reflections	0.105
Residual factor for significantly intense reflections	0.0476
Weighted residual factors for significantly intense reflections	0.0477
Weighted residual factors for all reflections included in the refinement	0.0526
Goodness-of-fit parameter for significantly intense reflections	2.03
Goodness-of-fit parameter for all reflections included in the refinement	1.71
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
245749 (current)	2019-12-25	cif/ Adding structures of 2311276, 2311277 via cif-deposit CGI script.	2311277.cif