Crystallography Open Database

Information card for entry 4087917

Preview

Coordinates	4087917.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	DS-96
Formula	C37 H36 Cl F6 N4 O7 P2 Rh S2
Calculated formula	C37 H36 Cl F6 N4 O7 P2 Rh S2
Title of publication	1,3-Dimethyl-4-(diphenylphosphino)imidazolium Triflate: A Functionalized Ionic Liquid with Ambivalent Coordination Capability
Authors of publication	Ruiz, Javier; Mesa, Alejandro F.; Sol, Daniel
Journal of publication	Organometallics
Year of publication	2015
Journal volume	34
Journal issue	20
Pages of publication	5129
a	8.3407 ± 0.0002 Å
b	19.9152 ± 0.0005 Å
c	25.3728 ± 0.0005 Å
α	90°
β	98.0744 ± 0.0011°
γ	90°
Cell volume	4172.81 ± 0.17 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	9
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for all reflections	0.0425
Residual factor for significantly intense reflections	0.0317
Weighted residual factors for significantly intense reflections	0.0584
Weighted residual factors for all reflections included in the refinement	0.0617
Goodness-of-fit parameter for all reflections included in the refinement	1.023
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
237121 (current)	2019-11-24	cif/ Adding structures of 4087916, 4087917, 4087918 via cif-deposit CGI script.	4087917.cif