Crystallography Open Database

Information card for entry 4075081

Preview

Coordinates	4075081.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H51 Br3 Ge O3
Calculated formula	C37 H48 Br3 Ge O3
SMILES	c1ccccc1.C(c1c(ccc(c1)C(C)(C)C)OC)(c1c(ccc(c1)C(C)(C)C)OC)(c1c(ccc(c1)C(C)(C)C)OC)[Ge](Br)(Br)Br
Title of publication	Syntheses, Structures, and Reactions of Heptacoordinate Trihalogermanes Bearing a Triarylmethyl-Type Tetradentate Ligand
Authors of publication	Iwanaga, Kohei; Kobayashi, Junji; Kawashima, Takayuki; Takagi, Nozomi; Nagase, Shigeru
Journal of publication	Organometallics
Year of publication	2006
Journal volume	25
Journal issue	14
Pages of publication	3388
a	19.7087 ± 0.0005 Å
b	19.7087 ± 0.0005 Å
c	19.7087 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	7655.5 ± 0.3 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	5
Space group number	205
Hermann-Mauguin space group symbol	P a -3
Hall space group symbol	-P 2ac 2ab 3
Residual factor for all reflections	0.0397
Residual factor for significantly intense reflections	0.0392
Weighted residual factors for significantly intense reflections	0.0979
Weighted residual factors for all reflections included in the refinement	0.0983
Goodness-of-fit parameter for all reflections included in the refinement	1.173
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
178639 (current)	2016-03-21	cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/50.	4075081.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4075081.cif
49053	2012-03-27	../uploads/cif-deposit/cod/cif Adding structures of 4075079, 4075080, 4075081, 4075082 via cif-deposit CGI script.	4075081.cif