Crystallography Open Database

Information card for entry 7044993

Preview

Coordinates	7044993.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	[K(crypt-222)][(Eind)GeBr2]
Chemical name	Eind-germylenoid
Formula	C46 H81 Br2 Ge K N2 O6
Calculated formula	C46 H81 Br2 Ge K N2 O6
Title of publication	1,2-Dihalodigermenes bearing bulky Eind groups: synthesis, characterization, and conversion to halogermylenoids.
Authors of publication	Hayakawa, Naoki; Sugahara, Tomohiro; Numata, Yasuyuki; Kawaai, Hotaka; Yamatani, Kenta; Nishimura, Shogo; Goda, Shun; Suzuki, Yuko; Tanikawa, Tomoharu; Nakai, Hidetaka; Hashizume, Daisuke; Sasamori, Takahiro; Tokitoh, Norihiro; Matsuo, Tsukasa
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2018
Journal volume	47
Journal issue	3
Pages of publication	814 - 822
a	11.288 ± 0.0009 Å
b	12.8136 ± 0.0007 Å
c	18.9434 ± 0.0017 Å
α	104.562 ± 0.004°
β	96.164 ± 0.005°
γ	107.936 ± 0.005°
Cell volume	2471.7 ± 0.3 Å³
Cell temperature	103 K
Ambient diffraction temperature	103 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0697
Residual factor for significantly intense reflections	0.0506
Weighted residual factors for significantly intense reflections	0.1184
Weighted residual factors for all reflections included in the refinement	0.1323
Goodness-of-fit parameter for all reflections included in the refinement	1.097
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
230073 (current)	2019-11-17	cif/ Updating files of 7044992, 7044993, 7044994, 7044995, 7044996, 7044997 Original log message: Adding full bibliography for 7044992--7044997.cif.	7044993.cif
204065	2017-12-08	cif/ Adding structures of 7044992, 7044993, 7044994, 7044995, 7044996, 7044997 via cif-deposit CGI script.	7044993.cif