Crystallography Open Database

Information card for entry 4084830

Preview

Coordinates	4084830.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C48 H49 Cl12 N6 O9 P Ru
Calculated formula	C48 H49 Cl12 N6 O9 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	15.3215 ± 0.0005 Å
b	13.8122 ± 0.0004 Å
c	27.4488 ± 0.0008 Å
α	90°
β	103.025 ± 0.002°
γ	90°
Cell volume	5659.4 ± 0.3 Å³
Cell temperature	110.15 K
Ambient diffraction temperature	110.15 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	0.0361
Residual factor for significantly intense reflections	0.0302
Weighted residual factors for significantly intense reflections	0.0697
Weighted residual factors for all reflections included in the refinement	0.072
Goodness-of-fit parameter for all reflections included in the refinement	1.056
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
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.	4084830.cif
131491	2015-02-08	cif/ Updating files of 4084830, 4084831 Original log message: Adding full bibliography for 4084830--4084831.cif.	4084830.cif
127753	2014-11-21	cif/ Adding structures of 4084830, 4084831 via cif-deposit CGI script.	4084830.cif