Crystallography Open Database

Information card for entry 1559856

Preview

Coordinates	1559856.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H50 B2 N2 Ni O2 P2
Calculated formula	C30 H49.532 B2 N2 Ni O2 P2
Title of publication	Ambiphilic boryl groups in a neutral Ni(ii) complex: a new activation mode of H<sub>2</sub>.
Authors of publication	Ríos, Pablo; Borge, Javier; Fernández de Córdova, Francisco; Sciortino, Giuseppe; Lledós, Agustí; Rodríguez, Amor
Journal of publication	Chemical science
Year of publication	2020
Journal volume	12
Journal issue	7
Pages of publication	2540 - 2548
a	9.294 ± 0.0005 Å
b	15.3277 ± 0.0007 Å
c	11.7365 ± 0.0005 Å
α	90°
β	107.92 ± 0.002°
γ	90°
Cell volume	1590.82 ± 0.13 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
Space group number	7
Hermann-Mauguin space group symbol	P 1 c 1
Hall space group symbol	P -2yc
Residual factor for all reflections	0.0504
Residual factor for significantly intense reflections	0.0425
Weighted residual factors for significantly intense reflections	0.0988
Weighted residual factors for all reflections included in the refinement	0.1029
Goodness-of-fit parameter for all reflections included in the refinement	1.053
Diffraction radiation wavelength	0.56087 Å
Diffraction radiation type	AgKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
267094 (current)	2021-07-05	cif/ Updating files of 1559856, 1559857, 1559858, 1559859 Original log message: Adding full bibliography for 1559856--1559859.cif.	1559856.cif
262552	2021-03-05	cif/ Updating files of 1559856, 1559857, 1559858, 1559859 Original log message: Adding full bibliography for 1559856--1559859.cif.	1559856.cif
260122	2020-12-24	cif/ Adding structures of 1559856, 1559857, 1559858, 1559859 via cif-deposit CGI script.	1559856.cif