Crystallography Open Database

Information card for entry 4086904

Preview

Coordinates	4086904.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C31 H48 Be N2
Calculated formula	C31 H48 Be N2
Title of publication	Syntheses and Structures of Homo- and Heteroleptic Beryllium Complexes Containing N,N′-Chelating Ligands
Authors of publication	Bayram, Melike; Naglav, Dominik; Wölper, Christoph; Schulz, Stephan
Journal of publication	Organometallics
Year of publication	2017
a	9.1586 ± 0.0006 Å
b	21.4825 ± 0.0012 Å
c	24.7691 ± 0.0015 Å
α	66.739 ± 0.003°
β	82.812 ± 0.004°
γ	77.701 ± 0.003°
Cell volume	4369.9 ± 0.5 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1287
Residual factor for significantly intense reflections	0.078
Weighted residual factors for significantly intense reflections	0.2104
Weighted residual factors for all reflections included in the refinement	0.2392
Goodness-of-fit parameter for all reflections included in the refinement	1.43
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
211332 (current)	2018-10-05	cif/ Fixing enumeration values for CIF data items _atom_sites_solution_* using cif_fix_values. Data item relocations and exclusion of CIF comment lines might have occurred due to the usage of cif_filter.	4086904.cif
189915	2017-01-06	cif/ Adding structures of 4086900, 4086901, 4086902, 4086903, 4086904 via cif-deposit CGI script.	4086904.cif