Crystallography Open Database

Information card for entry 1558013

Preview

Coordinates	1558013.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Be4 H51 I2 N19
Calculated formula	Be4 H23.9997 I2 N19
Title of publication	Speciation of Be2+ in acidic liquid ammonia and formation of tetra- and octanuclear beryllium amido clusters
Authors of publication	Müller, Matthias; Karttunen, Antti J.; Buchner, Magnus R.
Journal of publication	Chemical Science
Year of publication	2020
Journal volume	11
Journal issue	21
Pages of publication	5415 - 5422
a	9.7756 ± 0.0001 Å
b	9.7756 ± 0.0001 Å
c	8.7186 ± 0.0002 Å
α	90°
β	90°
γ	120°
Cell volume	721.55 ± 0.02 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	143
Hermann-Mauguin space group symbol	P 3
Hall space group symbol	P 3
Residual factor for all reflections	0.045
Residual factor for significantly intense reflections	0.0447
Weighted residual factors for significantly intense reflections	0.1274
Weighted residual factors for all reflections included in the refinement	0.1277
Goodness-of-fit parameter for all reflections included in the refinement	1.164
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
257400 (current)	2020-10-06	cif/ Updating files of 1558013, 1558014, 1558015, 1558016, 1558017, 1558018, 1558019, 1558020, 1558021 Original log message: Adding full bibliography for 1558013--1558021.cif.	1558013.cif
252747	2020-06-05	cif/ Updating files of 1558013, 1558014, 1558015, 1558016, 1558017, 1558018, 1558019, 1558020, 1558021 Original log message: Adding full bibliography for 1558013--1558021.cif.	1558013.cif
251788	2020-05-06	cif/ Adding structures of 1558013, 1558014, 1558015, 1558016, 1558017, 1558018, 1558019, 1558020, 1558021 via cif-deposit CGI script.	1558013.cif