Crystallography Open Database

Information card for entry 7703055

Preview

Coordinates	7703055.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H38 Cl N2 P Ru
Calculated formula	C32 H38 Cl N2 P Ru
Title of publication	Mechanistic diversity in acetophenone transfer hydrogenation catalyzed by ruthenium iminophosphonamide complexes.
Authors of publication	Kalsin, Alexander M.; Peganova, Tatyana A.; Sinopalnikova, Iana S.; Fedyanin, Ivan V.; Belkova, Natalia V.; Deydier, Eric; Poli, Rinaldo
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2020
Journal volume	49
Journal issue	5
Pages of publication	1473 - 1484
a	8.5677 ± 0.0004 Å
b	10.2597 ± 0.0005 Å
c	16.9517 ± 0.0008 Å
α	98.385 ± 0.001°
β	98.093 ± 0.001°
γ	104.752 ± 0.001°
Cell volume	1400.7 ± 0.12 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0352
Residual factor for significantly intense reflections	0.0283
Weighted residual factors for significantly intense reflections	0.0636
Weighted residual factors for all reflections included in the refinement	0.0672
Goodness-of-fit parameter for all reflections included in the refinement	1.027
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
248935 (current)	2020-03-05	cif/ Updating files of 7703055, 7703056 Original log message: Adding full bibliography for 7703055--7703056.cif.	7703055.cif
246217	2019-12-27	cif/ Adding structures of 7703055, 7703056 via cif-deposit CGI script.	7703055.cif