Crystallography Open Database

Information card for entry 4320705

4320704 << 4320705 >> 4320706

Preview

Coordinates	4320705.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C33 H25 Cl2 N5 O Os
Calculated formula	C33 H23 Cl2 N5 O Os
Title of publication	Regular and Inverse Secondary Kinetic Enthalpy Effects (KHE) for the Rate of Inversion of Thioether and 1,1'-Biisoquinoline Complexes of Ruthenium and Osmium
Authors of publication	Michael T. Ashby; Susan S. Alguindigue; Justin D. Schwane; Tad A. Daniel
Journal of publication	Inorganic Chemistry
Year of publication	2001
Journal volume	40
Pages of publication	6643 - 6650
a	8.8259 ± 0.0009 Å
b	14.5443 ± 0.0012 Å
c	22.162 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	2844.9 ± 0.5 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0274
Residual factor for significantly intense reflections	0.0249
Weighted residual factors for significantly intense reflections	0.0571
Weighted residual factors for all reflections included in the refinement	0.0581
Goodness-of-fit parameter for all reflections included in the refinement	1.046
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179310 (current)	2016-03-23	cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/07.	4320705.cif
120105	2014-07-12	Adding DOIs to range 4/32 structures.	4320705.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4320705.cif
17901	2011-04-11	../uploads/cif-deposit/cod/cif Adding structures of 4320705 via cif-deposit CGI script.	4320705.cif