Crystallography Open Database

Information card for entry 4075082

Preview

Coordinates	4075082.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C37 H48 Ge I3 O3
Calculated formula	C37 H48 Ge I3 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](I)(I)I
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	19.9244 ± 0.0005 Å
b	19.9244 ± 0.0005 Å
c	19.9244 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	7909.6 ± 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	0.0592
Residual factor for significantly intense reflections	0.0536
Weighted residual factors for significantly intense reflections	0.1592
Weighted residual factors for all reflections included in the refinement	0.1634
Goodness-of-fit parameter for all reflections included in the refinement	1.073
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.	4075082.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4075082.cif
49053	2012-03-27	../uploads/cif-deposit/cod/cif Adding structures of 4075079, 4075080, 4075081, 4075082 via cif-deposit CGI script.	4075082.cif