Crystallography Open Database

Information card for entry 7040108

Preview

Coordinates	7040108.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20.88 H21.64 Cl1.12 Fe N3 Pd
Calculated formula	C20.879 H21.637 Cl1.121 Fe N3 Pd
Title of publication	Novel pyrazolylphosphite- and pyrazolylphosphinite-ruthenium(ii) complexes as catalysts for hydrogenation of acetophenone.
Authors of publication	Amenuvor, Gershon; Obuah, Collins; Nordlander, Ebbe; Darkwa, James
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2016
Journal volume	45
Journal issue	34
Pages of publication	13514 - 13524
a	15.286 ± 0.002 Å
b	8.7381 ± 0.0012 Å
c	14.808 ± 0.002 Å
α	90°
β	101.786 ± 0.004°
γ	90°
Cell volume	1936.2 ± 0.5 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100.03 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1055
Residual factor for significantly intense reflections	0.0495
Weighted residual factors for significantly intense reflections	0.0816
Weighted residual factors for all reflections included in the refinement	0.0953
Goodness-of-fit parameter for all reflections included in the refinement	0.961
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
186409 (current)	2016-09-10	cif/ Updating files of 7040108, 7040109, 7040110, 7040111 Original log message: Adding full bibliography for 7040108--7040111.cif.	7040108.cif
184780	2016-08-02	cif/ Adding structures of 7040108, 7040109, 7040110, 7040111 via cif-deposit CGI script.	7040108.cif