Crystallography Open Database

Information card for entry 4106692

Preview

Coordinates	4106692.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C53 H49 N2 O3.25 P Ru
Calculated formula	C53 H49 N2 O3.25 P Ru
Title of publication	A Reactive Ru-Binaphtholate Building Block with Self-Tuning Hapticity
Authors of publication	Johanna M. Blacquiere; Carolyn S. Higman; Robert McDonald; Deryn E. Fogg
Journal of publication	Journal of the American Chemical Society
Year of publication	2011
Journal volume	133
Pages of publication	14054 - 14062
a	18.0557 ± 0.0004 Å
b	19.4773 ± 0.0005 Å
c	12.7568 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	4486.26 ± 0.19 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
Space group number	18
Hermann-Mauguin space group symbol	P 21 21 2
Hall space group symbol	P 2 2ab
Residual factor for all reflections	0.0331
Residual factor for significantly intense reflections	0.0316
Weighted residual factors for significantly intense reflections	0.0969
Weighted residual factors for all reflections included in the refinement	0.0985
Goodness-of-fit parameter for all reflections included in the refinement	1.083
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
178812 (current)	2016-03-21	cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/66.	4106692.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4106692.cif
53497	2012-04-20	cif/ Adding structures of 4106692 via cif-deposit CGI script.	4106692.cif