Crystallography Open Database

Information card for entry 7041028

Preview

Coordinates	7041028.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C84 H76 O6 Sn2
Calculated formula	C84 H76 O6 Sn2
SMILES	[Sn]1(OC(c2ccccc2)(c2ccccc2)c2ccccc2)[O]([Sn](OC(c2ccccc2)(c2ccccc2)c2ccccc2)[O]1C(c1ccccc1)(c1ccccc1)c1ccccc1)C(c1ccccc1)(c1ccccc1)c1ccccc1.O1CCCC1.O1CCCC1
Title of publication	Aerosol-assisted CVD of SnO from stannous alkoxide precursors.
Authors of publication	Hill, Michael S.; Johnson, Andrew L.; Lowe, John P.; Molloy, Kieran C.; Parish, James D.; Wildsmith, Thomas; Kingsley, Andrew L.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2016
Journal volume	45
Journal issue	45
Pages of publication	18252 - 18258
a	12.49 ± 0.0001 Å
b	13.051 ± 0.0002 Å
c	40.656 ± 0.0005 Å
α	90°
β	92.163 ± 0.001°
γ	90°
Cell volume	6622.49 ± 0.14 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	4
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	0.0626
Residual factor for significantly intense reflections	0.0403
Weighted residual factors for significantly intense reflections	0.0743
Weighted residual factors for all reflections included in the refinement	0.0808
Goodness-of-fit parameter for all reflections included in the refinement	1.099
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
190163 (current)	2017-01-09	cif/ Updating files of 7041028, 7041029 Original log message: Adding full bibliography for 7041028--7041029.cif.	7041028.cif
187541	2016-10-25	cif/ Adding structures of 7041028, 7041029 via cif-deposit CGI script.	7041028.cif