Crystallography Open Database

Information card for entry 7114704

Preview

Coordinates	7114704.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C15 H32 B10 Ge2 O
Calculated formula	C15 H32 B10 Ge2 O
SMILES	[Ge]1([C]2345[BH]678[BH]9%102[BH]2%116[BH]6%127[BH]738[BH]38%12[BH]%12%116[BH]6%102[BH]249[BH]3%126[C]5782[Ge](C)(C)C1Cc1ccc(OC)cc1)(C)C
Title of publication	The first 1,3-digermyla-2-nickela-carboranylene and the Ni-catalyzed double germylation of unsaturated organic substrates
Authors of publication	Lee, Junghyun; Lee, Chongchan; Kang, Sang Ook; Ko, Jaejung; Lee, Shim Sung
Journal of publication	Chemical Communications
Year of publication	2001
Journal issue	18
Pages of publication	1730
a	16.6363 ± 0.0009 Å
b	15.3576 ± 0.0008 Å
c	18.9404 ± 0.001 Å
α	90°
β	90°
γ	90°
Cell volume	4839.2 ± 0.4 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	5
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0911
Residual factor for significantly intense reflections	0.0378
Weighted residual factors for significantly intense reflections	0.0781
Weighted residual factors for all reflections included in the refinement	0.0935
Goodness-of-fit parameter for all reflections included in the refinement	0.951
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
180261 (current)	2016-03-26	cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/47.	7114704.cif
118293	2014-06-29	cif/ Adding structures of 7114703, 7114704 via cif-deposit CGI script.	7114704.cif