Crystallography Open Database

Information card for entry 7023299

Preview

Coordinates	7023299.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H57 B2 F18 N17 P3 Ru S6
Calculated formula	C40 H57 B2 F18 N17 P3 Ru S6
Title of publication	Homoleptic 'sandwich' complexes of substituted tris(methimazolyl)borate ligands with ruthenium, rhodium and palladium.
Authors of publication	Bailey, Philip J.; Bell, Nicola L.; Nichol, Gary S.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2013
Journal volume	42
Journal issue	31
Pages of publication	11281 - 11294
a	21.6714 ± 0.0007 Å
b	18.3557 ± 0.0006 Å
c	17.4348 ± 0.0005 Å
α	90°
β	95.03 ± 0.002°
γ	90°
Cell volume	6908.7 ± 0.4 Å³
Cell temperature	120 ± 0.1 K
Ambient diffraction temperature	120 ± 0.1 K
Number of distinct elements	8
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1267
Residual factor for significantly intense reflections	0.0894
Weighted residual factors for significantly intense reflections	0.2466
Weighted residual factors for all reflections included in the refinement	0.2696
Goodness-of-fit parameter for all reflections included in the refinement	1.071
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
209454 (current)	2018-08-07	cif/7/02/ Removing duplicate rows from the ATOM_TYPE loop in entries 7020557, 7020861, 7023299, 7023301, 7025796, 7026763, 7027855, 7028009, 7028478, 7029206.	7023299.cif
179937	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 7/02/32.	7023299.cif
90491	2013-11-17	cif/ Adding structures of 7023299, 7023300, 7023301, 7023302 via cif-deposit CGI script.	7023299.cif