Crystallography Open Database

Information card for entry 4065330

Preview

Coordinates	4065330.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C48 H52 N P3 Ru
Calculated formula	C48 H52 N P3 Ru
Title of publication	Ruthenium Complexes of CP3: A New Carbon-Centered Polydentate Podand Ligand
Authors of publication	Allen, Olivia R.; Field, Leslie D.; Magill, Alison M.; Vuong, Khuong Q.; Bhadbhade, Mohan M.; Dalgarno, Scott J.
Journal of publication	Organometallics
Year of publication	2011
Journal volume	30
Journal issue	23
Pages of publication	6433
a	10.974 ± 0.0004 Å
b	20.8634 ± 0.0008 Å
c	18.2687 ± 0.0007 Å
α	90°
β	91.704 ± 0.001°
γ	90°
Cell volume	4180.9 ± 0.3 Å³
Cell temperature	152 ± 2 K
Ambient diffraction temperature	152 ± 2 K
Number of distinct elements	5
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	0.0315
Residual factor for significantly intense reflections	0.0245
Weighted residual factors for significantly intense reflections	0.0639
Weighted residual factors for all reflections included in the refinement	0.0704
Goodness-of-fit parameter for all reflections included in the refinement	1.071
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
178546 (current)	2016-03-21	cif/4/06/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/06/53.	4065330.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4065330.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4065330.cif
33252	2012-02-11	../uploads/cif-deposit/cod/cif Adding structures of 4065328, 4065329, 4065330 via cif-deposit CGI script.	4065330.cif