Crystallography Open Database

Information card for entry 4084656

Preview

Coordinates	4084656.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C64 H62 F Ge O2.5 P3
Calculated formula	C64 H50 F Ge O2.5 P3
Title of publication	Synthesis, Geometry, and Bonding Nature of Heptacoordinate Compounds of Silicon and Germanium Featuring Three Phosphine Donors
Authors of publication	Kameo, Hajime; Kawamoto, Tatsuya; Sakaki, Shigeyoshi; Bourissou, Didier; Nakazawa, Hiroshi
Journal of publication	Organometallics
Year of publication	2014
Journal volume	33
Journal issue	22
Pages of publication	6557
a	11.9214 ± 0.0013 Å
b	13.7238 ± 0.0017 Å
c	18.6671 ± 0.0019 Å
α	74.147 ± 0.008°
β	67.51 ± 0.006°
γ	81.619 ± 0.009°
Cell volume	2711.5 ± 0.5 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0998
Residual factor for significantly intense reflections	0.0684
Weighted residual factors for significantly intense reflections	0.1355
Weighted residual factors for all reflections included in the refinement	0.1487
Goodness-of-fit parameter for all reflections included in the refinement	1.099
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4084656.cif
131443	2015-02-07	cif/ Updating files of 4084655, 4084656, 4084657, 4084658, 4084659, 4084660 Original log message: Adding full bibliography for 4084655--4084660.cif.	4084656.cif
126629	2014-11-07	cif/ Adding structures of 4084655, 4084656, 4084657, 4084658, 4084659, 4084660 via cif-deposit CGI script.	4084656.cif