Crystallography Open Database

Information card for entry 7025421

Preview

Coordinates	7025421.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H30 B Cl2 N6 Rh S3
Calculated formula	C21 H30 B Cl2 N6 Rh S3
Title of publication	Fluxional rhodium scorpionate complexes of the hydrotris(methimazolyl)borate (Tm) ligand and their static boratrane derivatives.
Authors of publication	López-Gómez, María J; Connelly, Neil G.; Haddow, Mairi F.; Hamilton, Alex; Orpen, A. Guy
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2010
Journal volume	39
Journal issue	22
Pages of publication	5221 - 5230
a	8.75 ± 0.002 Å
b	14.571 ± 0.004 Å
c	22.091 ± 0.006 Å
α	102.325 ± 0.01°
β	90.215 ± 0.01°
γ	107.157 ± 0.01°
Cell volume	2622.4 ± 1.2 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0825
Residual factor for significantly intense reflections	0.0484
Weighted residual factors for significantly intense reflections	0.1268
Weighted residual factors for all reflections included in the refinement	0.1691
Goodness-of-fit parameter for all reflections included in the refinement	1.132
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
179960 (current)	2016-03-25	cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/54.	7025421.cif
93042	2014-01-12	cif/ Adding structures of 7025421, 7025422, 7025423, 7025424, 7025425 via cif-deposit CGI script.	7025421.cif