Crystallography Open Database

Information card for entry 4084833

Preview

Coordinates	4084833.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C64 H43 B Cl2 F24 N5 P Ru
Calculated formula	C64 H43 B Cl2 F24 N5 P Ru
Title of publication	Metal-Templated Hydrogen Bond Donors as “Organocatalysts” for Carbon‒Carbon Bond Forming Reactions: Syntheses, Structures, and Reactivities of 2-Guanidinobenzimidazole Cyclopentadienyl Ruthenium Complexes
Authors of publication	Scherer, Alexander; Mukherjee, Tathagata; Hampel, Frank; Gladysz, John A.
Journal of publication	Organometallics
Year of publication	2014
Journal volume	33
Journal issue	23
Pages of publication	6709
a	12.7544 ± 0.0003 Å
b	13.9582 ± 0.0003 Å
c	19.9118 ± 0.0005 Å
α	108.991 ± 0.001°
β	100.507 ± 0.001°
γ	95.258 ± 0.001°
Cell volume	3251.97 ± 0.13 Å³
Cell temperature	173.15 K
Ambient diffraction temperature	173.15 K
Number of distinct elements	8
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0943
Residual factor for significantly intense reflections	0.068
Weighted residual factors for significantly intense reflections	0.1832
Weighted residual factors for all reflections included in the refinement	0.2044
Goodness-of-fit parameter for all reflections included in the refinement	1.025
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
178737 (current)	2016-03-21	cif/4/08/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/08/48.	4084833.cif
131492	2015-02-08	cif/ Updating files of 4084832, 4084833 Original log message: Adding full bibliography for 4084832--4084833.cif.	4084833.cif
127754	2014-11-21	cif/ Adding structures of 4084832, 4084833 via cif-deposit CGI script.	4084833.cif