Crystallography Open Database

Information card for entry 4119727

4119726 << 4119727 >> 4119728

Preview

Coordinates	4119727.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C44 H102 Ge4 Si5
Calculated formula	C44 H102 Ge4 Si5
SMILES	C[Si](C(C)(C)C)(C(C)(C)C)[Ge]12[Ge]3([Ge]1([Si](C)(C(C)(C)C)C(C)(C)C)[Si](C(C)(C)C)(C(C)(C)C)[Ge]23[Si](C)(C(C)(C)C)C(C)(C)C)[Si](C)(C(C)(C)C)C(C)(C)C
Title of publication	Spirobis(pentagerma[1.1.1]propellane): A Stable Tetraradicaloid
Authors of publication	Yuki Ito; Vladimir Ya. Lee; Heinz Gornitzka; Catharina Goedecke; Gernot Frenking; Akira Sekiguchi
Journal of publication	Journal of the American Chemical Society
Year of publication	2013
Journal volume	135
Pages of publication	6770 - 6773
a	13.1613 ± 0.0005 Å
b	28.7663 ± 0.001 Å
c	15.4602 ± 0.0006 Å
α	90°
β	92.252 ± 0.001°
γ	90°
Cell volume	5848.7 ± 0.4 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 K
Number of distinct elements	4
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	0.037
Residual factor for significantly intense reflections	0.0266
Weighted residual factors for significantly intense reflections	0.0633
Weighted residual factors for all reflections included in the refinement	0.0666
Goodness-of-fit parameter for all reflections included in the refinement	1.031
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
178968 (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 4/11/97.	4119727.cif
103903	2014-03-07	cif/ Adding structures of 4119727 via cif-deposit CGI script.	4119727.cif