Crystallography Open Database

Information card for entry 1570307

Preview

Coordinates	1570307.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	<i>trans</i>-Bis[bis(diphenylphosphanyl)methane-κ^2^<i>P</i>,<i>P</i>']dichloridoruthenium(II)
Formula	C50 H44 Cl2 P4 Ru
Calculated formula	C50 H44 Cl2 P4 Ru
SMILES	c1(ccccc1)[P]1(c2ccccc2)C[P](c2ccccc2)(c2ccccc2)[Ru]12(Cl)([P](c1ccccc1)(c1ccccc1)C[P]2(c1ccccc1)c1ccccc1)Cl
Title of publication	trans-Bis[bis(diphenylphosphanyl)methane-κ2 P,P′]dichloridoruthenium(II): a triclinic polymorph
Authors of publication	Kelani, Monsuru T.; Muller, Alfred; Lammertsma, Koop
Journal of publication	IUCrData
Year of publication	2023
Journal volume	8
Journal issue	11
a	10.261 ± 0.005 Å
b	11.243 ± 0.005 Å
c	20.198 ± 0.009 Å
α	84.857 ± 0.015°
β	87.185 ± 0.016°
γ	72.525 ± 0.015°
Cell volume	2213 ± 1.8 Å³
Cell temperature	273 ± 2 K
Ambient diffraction temperature	273 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0477
Residual factor for significantly intense reflections	0.0337
Weighted residual factors for significantly intense reflections	0.0752
Weighted residual factors for all reflections included in the refinement	0.0829
Goodness-of-fit parameter for all reflections included in the refinement	1.041
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
287612 (current)	2023-11-15	cif/ Adding structures of 1570307 via cif-deposit CGI script.	1570307.cif