Crystallography Open Database

Information card for entry 1568338

Preview

Coordinates	1568338.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H14 B2 O4
Calculated formula	C16 H14 B2 O4
Title of publication	Nickel boryl complexes and nickel-catalyzed alkyne borylation.
Authors of publication	Tendera, Lukas; Fantuzzi, Felipe; Marder, Todd B.; Radius, Udo
Journal of publication	Chemical science
Year of publication	2023
Journal volume	14
Journal issue	8
Pages of publication	2215 - 2228
a	5.7823 ± 0.0002 Å
b	8.4295 ± 0.0004 Å
c	14.2439 ± 0.0005 Å
α	87.274 ± 0.003°
β	84.401 ± 0.003°
γ	89.585 ± 0.003°
Cell volume	690.18 ± 0.05 Å³
Cell temperature	100 ± 0.1 K
Ambient diffraction temperature	100 ± 0.1 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	0.0687
Residual factor for significantly intense reflections	0.0668
Weighted residual factors for significantly intense reflections	0.2217
Weighted residual factors for all reflections included in the refinement	0.2231
Goodness-of-fit parameter for all reflections included in the refinement	1.187
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
281345 (current)	2023-03-04	cif/ Updating files of 1568336, 1568337, 1568338, 1568339, 1568340, 1568341, 1568342, 1568343, 1568344, 1568345, 1568346, 1568347, 1568348, 1568349, 1568350, 1568351 Original log message: Adding full bibliography for 1568336--1568351.cif.	1568338.cif
280643	2023-01-28	cif/ Adding structures of 1568336, 1568337, 1568338, 1568339, 1568340, 1568341, 1568342, 1568343, 1568344, 1568345, 1568346, 1568347, 1568348, 1568349, 1568350, 1568351 via cif-deposit CGI script.	1568338.cif