Crystallography Open Database

Information card for entry 7700599

Preview

Coordinates	7700599.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C50 H40 Cl2 N2 P2 Ru
Calculated formula	C50 H40 Cl2 N2 P2 Ru
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	13.9242 ± 0.0002 Å
b	19.2794 ± 0.0003 Å
c	15.9218 ± 0.0002 Å
α	90°
β	96.517 ± 0.001°
γ	90°
Cell volume	4246.59 ± 0.1 Å³
Cell temperature	180 ± 2 K
Ambient diffraction temperature	180 ± 2 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	0.0386
Residual factor for significantly intense reflections	0.0286
Weighted residual factors for significantly intense reflections	0.0665
Weighted residual factors for all reflections included in the refinement	0.0724
Goodness-of-fit parameter for all reflections included in the refinement	1.022
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.	7700599.cif
217206	2019-07-23	cif/ Adding structures of 7700596, 7700597, 7700598, 7700599, 7700600 via cif-deposit CGI script.	7700599.cif