Crystallography Open Database

Information card for entry 4084831

Preview

Coordinates	4084831.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C41 H30 Cl15 N6 O7 P Ru
Calculated formula	C41 H30 Cl15 N6 O7 P Ru
Title of publication	Syntheses of Enantiopure Bifunctional 2-Guanidinobenzimidazole Cyclopentadienyl Ruthenium Complexes: Highly Enantioselective Organometallic Hydrogen Bond Donor Catalysts for Carbon‒Carbon Bond Forming Reactions
Authors of publication	Mukherjee, Tathagata; Ganzmann, Carola; Bhuvanesh, Nattamai; Gladysz, John A.
Journal of publication	Organometallics
Year of publication	2014
Journal volume	33
Journal issue	23
Pages of publication	6723
a	10.286 ± 0.002 Å
b	20.552 ± 0.004 Å
c	13.183 ± 0.004 Å
α	90°
β	111.967 ± 0.002°
γ	90°
Cell volume	2584.5 ± 1.1 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	7
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.038
Residual factor for significantly intense reflections	0.0367
Weighted residual factors for significantly intense reflections	0.0847
Weighted residual factors for all reflections included in the refinement	0.0854
Goodness-of-fit parameter for all reflections included in the refinement	1.014
Diffraction radiation wavelength	0.7749 Å
Diffraction radiation type	synchrotron
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.	4084831.cif
131491	2015-02-08	cif/ Updating files of 4084830, 4084831 Original log message: Adding full bibliography for 4084830--4084831.cif.	4084831.cif
127753	2014-11-21	cif/ Adding structures of 4084830, 4084831 via cif-deposit CGI script.	4084831.cif