Crystallography Open Database

Information card for entry 7703706

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Structure parameters

Formula	C27 H41 B Ge N4
Calculated formula	C27 H41 B Ge N4
SMILES	[Ge]1(N(c2c(cccc2C)C)B(N1c1c(C)cccc1C)N(C(C)C)C(C)C)(C(C)(C)C)C#N
Title of publication	Reactivity of boraguanidinato germylenes toward carbonyl compounds and isocyanides: C-O, C-F and C-N bond activation.
Authors of publication	Böserle, Jiří; Jambor, Roman; R°uŽička, Aleš; Erben, Milan; Dostál, Libor
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2020
Journal volume	49
Journal issue	15
Pages of publication	4869 - 4877
a	13.3959 ± 0.0008 Å
b	10.9681 ± 0.0006 Å
c	19.05 ± 0.002 Å
α	90°
β	100.283 ± 0.007°
γ	90°
Cell volume	2754 ± 0.4 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 1 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0456
Residual factor for significantly intense reflections	0.0331
Weighted residual factors for significantly intense reflections	0.0735
Weighted residual factors for all reflections included in the refinement	0.0831
Goodness-of-fit parameter for all reflections included in the refinement	1.111
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
301878 (current)	2025-08-23	Add cross-references to PubChem compounds in COD range 7/70/ Each referenced PubChem compound corresponds to the full crystal structure.	7703706.cif
251662	2020-05-05	cif/ Updating files of 7703706, 7703707, 7703708, 7703709, 7703710, 7703711 Original log message: Adding full bibliography for 7703706--7703711.cif.	7703706.cif
249170	2020-03-07	cif/ Adding structures of 7703706, 7703707, 7703708, 7703709, 7703710, 7703711 via cif-deposit CGI script.	7703706.cif