Crystallography Open Database

Information card for entry 4335651

Preview

Coordinates	4335651.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H44 Ru Sn2
Calculated formula	C26 H44 Ru Sn2
SMILES	[Sn]1([Sn]([c]23[Ru]456789%10([c]%111[cH]4[cH]5[cH]6[cH]7%11)[cH]2[cH]8[cH]9[cH]3%10)(C(C)(C)C)C(C)(C)C)(C(C)(C)C)C(C)(C)C
Title of publication	Structure and Reactivity of Distanna[2]metallocenophanes of Ruthenium and Osmium
Authors of publication	Holger Braunschweig; Florian Hupp; Thomas Kramer; Julian Mager
Journal of publication	Inorganic Chemistry
Year of publication	2013
Journal volume	52
Pages of publication	9060 - 9065
a	16.7387 ± 0.0014 Å
b	9.176 ± 0.0007 Å
c	18.567 ± 0.0015 Å
α	90°
β	110.272 ± 0.001°
γ	90°
Cell volume	2675.1 ± 0.4 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
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	0.0143
Residual factor for significantly intense reflections	0.0136
Weighted residual factors for significantly intense reflections	0.0483
Weighted residual factors for all reflections included in the refinement	0.0489
Goodness-of-fit parameter for all reflections included in the refinement	1.07
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
179459 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/56.	4335651.cif
101586	2014-02-14	cif/ Adding structures of 4335651 via cif-deposit CGI script.	4335651.cif