Crystallography Open Database

Information card for entry 4116127

Preview

Coordinates	4116127.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	Anilinium Bis[benzilato(2-)-O1,O2]hydroxosilicate-Tetrahydrofuran
Formula	C38 H37 N O8 Si
Calculated formula	C38 H37 N O8 Si
Title of publication	Pentacoordinate Silicon Compounds with SiO5Skeletons Containing SiOH or SiOSi Groups: Derivatives of the Pentahydroxosilicate(1-) Anion [Si(OH)5]-and Its Anhydride [(HO)4Si-O-Si(OH)4]2-
Authors of publication	Reinhold Tacke; Christian Burschka; Ingo Richter; Brigitte Wagner; Reiner Willeke
Journal of publication	Journal of the American Chemical Society
Year of publication	2000
Journal volume	122
Pages of publication	8480 - 8485
a	11.3633 ± 0.0014 Å
b	12.5129 ± 0.0013 Å
c	11.8372 ± 0.0014 Å
α	90°
β	91.155 ± 0.015°
γ	90°
Cell volume	1682.8 ± 0.3 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0519
Residual factor for significantly intense reflections	0.0413
Weighted residual factors for significantly intense reflections	0.0991
Weighted residual factors for all reflections included in the refinement	0.1034
Goodness-of-fit parameter for all reflections included in the refinement	0.998
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
178932 (current)	2016-03-22	cif/4/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/11/61.	4116127.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4116127.cif
70706	2013-01-04	cif/ Adding structures of 4116127 via cif-deposit CGI script.	4116127.cif