Crystallography Open Database

Information card for entry 4082637

Preview

Coordinates	4082637.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H46 Sn2
Calculated formula	C26 H46 Sn2
SMILES	C1(C=CC=C1)[Sn](C(C)(C)C)(C(C)(C)C)[Sn](C1C=CC=C1)(C(C)(C)C)C(C)(C)C
Title of publication	Synthesis and Structure of Group IV Distanna[2]metallocenophanes
Authors of publication	Arnold, Thomas; Braunschweig, Holger; Damme, Alexander; Krummenacher, Ivo; Radacki, Krzysztof
Journal of publication	Organometallics
Year of publication	2014
Journal volume	33
Journal issue	1
Pages of publication	254
a	9.5002 ± 0.0014 Å
b	10.951 ± 0.0016 Å
c	14.875 ± 0.002 Å
α	95.114 ± 0.002°
β	102.769 ± 0.002°
γ	112.225 ± 0.002°
Cell volume	1371.3 ± 0.3 Å³
Cell temperature	172 ± 2 K
Ambient diffraction temperature	172 ± 2 K
Number of distinct elements	3
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0224
Residual factor for significantly intense reflections	0.0187
Weighted residual factors for significantly intense reflections	0.0456
Weighted residual factors for all reflections included in the refinement	0.0477
Goodness-of-fit parameter for all reflections included in the refinement	1.063
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
178715 (current)	2016-03-21	cif/4/08/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/08/26.	4082637.cif
104468	2014-03-11	cif/ Adding structures of 4082637, 4082638, 4082639, 4082640, 4082641 via cif-deposit CGI script.	4082637.cif