Crystallography Open Database

Information card for entry 1568383

Preview

Coordinates	1568383.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H68 K N O4 P2 Ru
Calculated formula	C36 H68 K N O4 P2 Ru
Title of publication	Large changes in hydricity as a function of charge and not metal in (PNP)M–H (de)hydrogenation catalysts that undergo metal–ligand cooperativity
Authors of publication	Schlenker, Kevin; Casselman, Lillee K.; VanderLinden, Ryan T.; Saouma, Caroline T.
Journal of publication	Catalysis Science & Technology
Year of publication	2023
Journal volume	13
Journal issue	5
Pages of publication	1358 - 1368
a	12.158 ± 0.001 Å
b	17.5241 ± 0.0008 Å
c	19.0088 ± 0.0015 Å
α	90°
β	90°
γ	90°
Cell volume	4050 ± 0.5 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0669
Residual factor for significantly intense reflections	0.0449
Weighted residual factors for significantly intense reflections	0.0849
Weighted residual factors for all reflections included in the refinement	0.0924
Goodness-of-fit parameter for all reflections included in the refinement	1.132
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
282244 (current)	2023-04-04	cif/ Updating files of 1568382, 1568383 Original log message: Adding full bibliography for 1568382--1568383.cif.	1568383.cif
280770	2023-02-03	cif/ Adding structures of 1568382, 1568383 via cif-deposit CGI script.	1568383.cif