Crystallography Open Database

Information card for entry 7700597

Preview

Coordinates	7700597.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H38 Cl2 N O2 P Ru S2
Calculated formula	C20 H38 Cl2 N O2 P Ru S2
Title of publication	Rh(i) and Ru(ii) phosphaamidine and phosphaguanidine (1,3-P,N) complexes and their activity for CO<sub>2</sub> hydrogenation.
Authors of publication	Kandel, Ramjee; Schatte, Gabriele; Jessop, Philip G.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2019
Journal volume	48
Journal issue	33
Pages of publication	12512 - 12521
a	9.6004 ± 0.0003 Å
b	20.3354 ± 0.0006 Å
c	14.1978 ± 0.0004 Å
α	90°
β	107.525 ± 0.001°
γ	90°
Cell volume	2643.16 ± 0.14 Å³
Cell temperature	180 ± 2 K
Ambient diffraction temperature	180 ± 2 K
Number of distinct elements	8
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0281
Residual factor for significantly intense reflections	0.0261
Weighted residual factors for significantly intense reflections	0.0661
Weighted residual factors for all reflections included in the refinement	0.0675
Goodness-of-fit parameter for all reflections included in the refinement	1.046
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
223981 (current)	2019-11-07	cif/ Updating files of 7700596, 7700597, 7700598, 7700599, 7700600 Original log message: Adding full bibliography for 7700596--7700600.cif.	7700597.cif
217206	2019-07-23	cif/ Adding structures of 7700596, 7700597, 7700598, 7700599, 7700600 via cif-deposit CGI script.	7700597.cif