Crystallography Open Database

Information card for entry 4086446

Preview

Coordinates	4086446.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C52 H106 Ga2 O4 Si8
Calculated formula	C52 H106 Ga2 O4 Si8
SMILES	C([Ga]1(C([Si](C)(C)C)[Si](C)(C)C)OC(=[O]1)c1ccc2c(c1)ccc(C1=[O][Ga](C([Si](C)(C)C)[Si](C)(C)C)(C([Si](C)(C)C)[Si](C)(C)C)O1)c2)([Si](C)(C)C)[Si](C)(C)C.C1(C)CCCC1.C1(C)CCCC1
Title of publication	Gallium‒Gallium Bonds as Key Building Blocks for the Formation of Large Organometallic Macrocycles, on the Way to a Mesoporous Molecule
Authors of publication	Uhl, Werner; Fick, Anna-Christina; Spies, Thomas; Geiseler, Gertraud; Harms, Klaus
Journal of publication	Organometallics
Year of publication	2004
Journal volume	23
Journal issue	1
Pages of publication	72 - 75
a	9.6188 ± 0.0008 Å
b	17.8307 ± 0.0009 Å
c	20.3154 ± 0.0013 Å
α	90°
β	98.378 ± 0.009°
γ	90°
Cell volume	3447.1 ± 0.4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
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	0.0766
Residual factor for significantly intense reflections	0.0421
Weighted residual factors for significantly intense reflections	0.0905
Weighted residual factors for all reflections included in the refinement	0.0979
Goodness-of-fit parameter for all reflections included in the refinement	1.009
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
181331 (current)	2016-04-03	cif/ Adding structures of 4086445, 4086446 via cif-deposit CGI script.	4086446.cif