Crystallography Open Database

Information card for entry 7029709

Preview

Coordinates	7029709.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C112 H80 Ge8
Calculated formula	C112 H80 Ge8
SMILES	C1#C[Ge](C#C[Ge](C#C[Ge](C#C[Ge](c2ccccc2)(c2ccccc2)C#C[Ge](C#C[Ge](C#C[Ge](C#C[Ge]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1
Title of publication	Synthesis and characterization of germa[n]pericyclynes.
Authors of publication	Tanimoto, Hiroki; Nagao, Tomohiko; Nishiyama, Yasuhiro; Morimoto, Tsumoru; Iseda, Fumiyasu; Nagato, Yuko; Suzuka, Toshimasa; Tsutsumi, Ken; Kakiuchi, Kiyomi
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2014
Journal volume	43
Journal issue	22
Pages of publication	8338 - 8343
a	16.366 ± 0.0003 Å
b	14.3633 ± 0.0003 Å
c	19.9317 ± 0.0004 Å
α	90°
β	100.958 ± 0.0007°
γ	90°
Cell volume	4599.92 ± 0.16 Å³
Cell temperature	123 K
Ambient diffraction temperature	123 K
Number of distinct elements	3
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for significantly intense reflections	0.0363
Weighted residual factors for all reflections included in the refinement	0.0918
Goodness-of-fit parameter for all reflections included in the refinement	1.048
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
180003 (current)	2016-03-25	cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/97.	7029709.cif
116208	2014-06-07	cif/ Updating files of 7029707, 7029708, 7029709, 7029710, 7029711 Original log message: Adding full bibliography for 7029707--7029711.cif.	7029709.cif
109501	2014-04-15	cif/ Adding structures of 7029707, 7029708, 7029709, 7029710, 7029711 via cif-deposit CGI script.	7029709.cif