Crystallography Open Database

Information card for entry 7714825

Preview

Coordinates	7714825.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C48 H95 Be2 K N4 Si2
Calculated formula	C48 H95 Be2 K N4 Si2
SMILES	[K]1[N](C)(CC[N]1(C)C)C.c1(c(C(C)C)cccc1C(C)C)N([Si](C(C)C)(C(C)C)C(C)C)[Be]123[Be]([H]1)([H]2)([H]3)N([Si](C(C)C)(C(C)C)C(C)C)c1c(C(C)C)cccc1C(C)C
Title of publication	An anionic beryllium hydride dimer with an exceedingly short Be⋯Be distance.
Authors of publication	Hadlington, Terrance J.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2024
Journal volume	53
Journal issue	3
Pages of publication	882 - 886
a	26.54 ± 0.005 Å
b	10.95 ± 0.002 Å
c	19.23 ± 0.004 Å
α	90°
β	90°
γ	90°
Cell volume	5588.5 ± 1.9 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
Space group number	33
Hermann-Mauguin space group symbol	P n a 21
Hall space group symbol	P 2c -2n
Residual factor for all reflections	0.1128
Residual factor for significantly intense reflections	0.0504
Weighted residual factors for significantly intense reflections	0.0988
Weighted residual factors for all reflections included in the refinement	0.1158
Goodness-of-fit parameter for all reflections included in the refinement	0.889
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
289547 (current)	2024-02-04	cif/ Updating files of 7714823, 7714824, 7714825 Original log message: Adding full bibliography for 7714823--7714825.cif.	7714825.cif
288497	2023-12-22	cif/ Adding structures of 7714823, 7714824, 7714825 via cif-deposit CGI script.	7714825.cif