Crystallography Open Database

Information card for entry 7035423

Preview

Coordinates	7035423.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Tetralithium-tetrahydrogen-bis{1,3-bis(2,2'',4,4'',6,6''-hexa-methyl[1,1':3',1''-terphenyl]-2'-yl)-1,1,3,3-disiloxanetetrolate}
Chemical name	Tetralithium-tetrahydrogen-bis{1,3-bis(2,2'',4,4'',6,6''-hexa-methyl[1,1':3',1''-terphenyl]-2'-yl)-1,1,3,3-disiloxanetetrolate}
Formula	C96 H104 Li4 O10 Si4
Calculated formula	C96 H104 Li4 O10 Si4
SMILES	[Li]12[O]3[Li]4[O]5[Li]6[OH][Si](O[Si]5([OH]2)c2c(cccc2c2c(cc(cc2C)C)C)c2c(cc(cc2C)C)C)([O]1[Li]1[OH][Si]3(O[Si]([O]61)([OH]4)c1c(cccc1c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C)c1c(cccc1c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C)c1c(cccc1c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C.O.O
Title of publication	Dimer formation upon deprotonation: synthesis and structure of a m-terphenyl substituted (R,S)-dilithium disiloxanolate disilanol.
Authors of publication	Čas, Daniel; Hurkes, Natascha; Spirk, Stefan; Belaj, Ferdinand; Bruhn, Clemens; Rechberger, Gerald N.; Pietschnig, Rudolf
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2015
Journal volume	44
Journal issue	28
Pages of publication	12818 - 12823
a	24.16 ± 0.005 Å
b	15.24 ± 0.003 Å
c	24.342 ± 0.006 Å
α	90°
β	107.484 ± 0.017°
γ	90°
Cell volume	8549 ± 3 Å³
Cell temperature	95 ± 2 K
Ambient diffraction temperature	95 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	I 1 2/a 1
Hall space group symbol	-I 2ya
Residual factor for all reflections	0.1027
Residual factor for significantly intense reflections	0.0545
Weighted residual factors for significantly intense reflections	0.1054
Weighted residual factors for all reflections included in the refinement	0.1251
Goodness-of-fit parameter for all reflections included in the refinement	1.013
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
143705 (current)	2015-07-11	cif/ Updating files of 7035423, 7035424, 7035425, 7035426, 7035427 Original log message: Adding full bibliography for 7035423--7035427.cif.	7035423.cif
139246	2015-06-16	cif/ Adding structures of 7035423, 7035424, 7035425, 7035426, 7035427 via cif-deposit CGI script.	7035423.cif