Crystallography Open Database

Information card for entry 7026035

Preview

Coordinates	7026035.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C45 H64 N4 O Si Zn
Calculated formula	C45 H64 N4 O Si Zn
SMILES	[Zn](O[Si]1(N(C(=C)C=C(N1c1c(cccc1C(C)C)C(C)C)C)c1c(cccc1C(C)C)C(C)C)[n+]1ccc(N(C)C)cc1)(C)C.Cc1ccccc1
Title of publication	Coordination of a Si[double bond, length as m-dash]O subunit to metals: complexes of donor-stabilized silanone featuring a terminal Si[double bond, length as m-dash]O→M coordination (M = Zn, Al).
Authors of publication	Xiong, Yun; Yao, Shenglai; Driess, Matthias
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2010
Journal volume	39
Journal issue	39
Pages of publication	9282 - 9287
a	15.8193 ± 0.0004 Å
b	22.5525 ± 0.0005 Å
c	12.4294 ± 0.0003 Å
α	90°
β	101.727 ± 0.002°
γ	90°
Cell volume	4341.81 ± 0.18 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
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	0.0587
Residual factor for significantly intense reflections	0.035
Weighted residual factors for significantly intense reflections	0.0741
Weighted residual factors for all reflections included in the refinement	0.0786
Goodness-of-fit parameter for all reflections included in the refinement	0.966
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
179966 (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 7/02/60.	7026035.cif
93390	2014-01-13	cif/ Adding structures of 7026033, 7026034, 7026035, 7026036 via cif-deposit CGI script.	7026035.cif