Crystallography Open Database

Information card for entry 4073195

Preview

Coordinates	4073195.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C52 H55 F N2 O P2 Ru
Calculated formula	C52 H55 F N2 O P2 Ru
Title of publication	Synthesis and Reactivity of Ru(PPh3)3(CO)HF and the N-Heterocyclic Carbene Derivatives Ru(NHC)(PPh3)2(CO)HF
Authors of publication	Reade, Steven P.; Nama, Devendrababu; Mahon, Mary F.; Pregosin, Paul S.; Whittlesey, Michael K.
Journal of publication	Organometallics
Year of publication	2007
Journal volume	26
Journal issue	14
Pages of publication	3484
a	9.157 ± 0.0001 Å
b	23.897 ± 0.0004 Å
c	20.562 ± 0.0003 Å
α	90°
β	92.436 ± 0.001°
γ	90°
Cell volume	4495.41 ± 0.11 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	7
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	0.06
Residual factor for significantly intense reflections	0.0404
Weighted residual factors for significantly intense reflections	0.0792
Weighted residual factors for all reflections included in the refinement	0.0869
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	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
178620 (current)	2016-03-21	cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/31.	4073195.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4073195.cif
47256	2012-03-23	cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories.	4073195.cif
46214	2012-03-21	../uploads/cif-deposit/cod/cif Adding structures of 4073195 via cif-deposit CGI script.	4073195.cif