Crystallography Open Database

Information card for entry 1575556

Preview

Coordinates	1575556.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C59 H81.5 Al B N6 O0.75
Calculated formula	C56 H74 Al B N6
Title of publication	Synthesis, properties, and chemoselective reactions of an AlH-BH functional group.
Authors of publication	Yang, Wenbang; White, Andrew J. P.; Crimmin, Mark R.
Journal of publication	Chemical science
Year of publication	2025
Journal volume	16
Journal issue	37
Pages of publication	17193 - 17199
a	11.7887 ± 0.0005 Å
b	12.6943 ± 0.0006 Å
c	19.3282 ± 0.0011 Å
α	94.912 ± 0.004°
β	91.626 ± 0.004°
γ	103.385 ± 0.004°
Cell volume	2800.1 ± 0.2 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1117
Residual factor for significantly intense reflections	0.0688
Weighted residual factors for significantly intense reflections	0.1802
Weighted residual factors for all reflections included in the refinement	0.2152
Goodness-of-fit parameter for all reflections included in the refinement	1.028
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
302487 (current)	2025-10-06	cif/ Updating files of 1575552, 1575553, 1575554, 1575555, 1575556 Original log message: Adding full bibliography for 1575552--1575556.cif.	1575556.cif
301923	2025-08-29	cif/ Adding structures of 1575552, 1575553, 1575554, 1575555, 1575556 via cif-deposit CGI script.	1575556.cif