Crystallography Open Database

Information card for entry 1573071

Preview

Coordinates	1573071.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C58 H82 B2 N4 O6 Zn2
Calculated formula	C58 H82 B2 N4 O6 Zn2
Title of publication	Zinc borylation and reduction by a diborane(4) species <i>via</i> B-O bond formation.
Authors of publication	Griffin, Liam P.; Aldridge, Simon
Journal of publication	Chemical science
Year of publication	2024
Journal volume	15
Journal issue	46
Pages of publication	19577 - 19582
a	14.94854 ± 0.00006 Å
b	11.8092 ± 0.00005 Å
c	16.28848 ± 0.00006 Å
α	90°
β	91.313 ± 0.0004°
γ	90°
Cell volume	2874.66 ± 0.02 Å³
Cell temperature	100 ± 0.1 K
Ambient diffraction temperature	100 ± 0.1 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	0.0323
Residual factor for significantly intense reflections	0.0316
Weighted residual factors for significantly intense reflections	0.0858
Weighted residual factors for all reflections included in the refinement	0.0864
Goodness-of-fit parameter for all reflections included in the refinement	1.095
Diffraction radiation probe	x-ray
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
296411 (current)	2024-12-06	cif/ Updating files of 1573067, 1573068, 1573069, 1573070, 1573071 Original log message: Adding full bibliography for 1573067--1573071.cif.	1573071.cif
295783	2024-11-06	cif/ Adding structures of 1573067, 1573068, 1573069, 1573070, 1573071 via cif-deposit CGI script.	1573071.cif