Crystallography Open Database

Information card for entry 4088541

Preview

Coordinates	4088541.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C42 H56 Ge2 Mn2 N4 O8
Calculated formula	C42 H56 Ge2 Mn2 N4 O8
SMILES	CC(C)[N]1=C(c2ccccc2)N(C(C)C)[Ge]1(C(C)(C)C)[Mn](C#[O])(C#[O])(C#[O])(C#[O])[Mn](C#[O])(C#[O])(C#[O])(C#[O])[Ge]1([N](C(C)C)=C(c2ccccc2)N1C(C)C)C(C)(C)C
Title of publication	[MnBrL(CO)4] (L = Amidinatogermylene): Reductive Dimerization, Carbonyl Substitution, and Hydrolysis Reactions
Authors of publication	Cabeza, Javier A.; García-Álvarez, Pablo; Gobetto, Roberto; González-Álvarez, Laura; Nervi, Carlo; Pérez-Carreño, Enrique; Polo, Diego
Journal of publication	Organometallics
Year of publication	2016
Journal volume	35
Journal issue	11
Pages of publication	1761
a	16.1948 ± 0.0005 Å
b	16.3153 ± 0.0004 Å
c	17.6171 ± 0.0003 Å
α	90°
β	91.417 ± 0.002°
γ	90°
Cell volume	4653.4 ± 0.2 Å³
Cell temperature	152 ± 2 K
Ambient diffraction temperature	152 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0572
Residual factor for significantly intense reflections	0.0386
Weighted residual factors for significantly intense reflections	0.0854
Weighted residual factors for all reflections included in the refinement	0.0944
Goodness-of-fit parameter for all reflections included in the refinement	1.005
Diffraction radiation wavelength	1.5418 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
237656 (current)	2019-11-24	cif/ Adding structures of 4088541, 4088542, 4088543, 4088544, 4088545 via cif-deposit CGI script.	4088541.cif