Crystallography Open Database

Information card for entry 7044961

Preview

Coordinates	7044961.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C110 H80.2 B2 F40 N4 Ni1.8
Calculated formula	C110 H80 B2 F40 N4 Ni1.8
Title of publication	Mono- and dinuclear Ni(i) products formed upon bromide abstraction from the Ni(i) ring-expanded NHC complex [Ni(6-Mes)(PPh<sub>3</sub>)Br].
Authors of publication	Blackaby, William J. M.; Sabater, Sara; Poulten, Rebecca C.; Page, Michael J.; Folli, Andrea; Krewald, Vera; Mahon, Mary F.; Murphy, Damien M.; Richards, Emma; Whittlesey, Michael K.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2018
Journal volume	47
Journal issue	3
Pages of publication	769 - 782
a	10.4 ± 0.0004 Å
b	16.7387 ± 0.0006 Å
c	29.4479 ± 0.0009 Å
α	92.241 ± 0.003°
β	90.291 ± 0.003°
γ	107.737 ± 0.004°
Cell volume	4878.2 ± 0.3 Å³
Cell temperature	150 ± 0.1 K
Ambient diffraction temperature	150 ± 0.1 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	0.1135
Residual factor for significantly intense reflections	0.089
Weighted residual factors for significantly intense reflections	0.2431
Weighted residual factors for all reflections included in the refinement	0.2676
Goodness-of-fit parameter for all reflections included in the refinement	1.053
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
230072 (current)	2019-11-17	cif/ Updating files of 7044955, 7044956, 7044957, 7044958, 7044959, 7044960, 7044961, 7044962, 7044963, 7044964, 7044965 Original log message: Adding full bibliography for 7044955--7044965.cif.	7044961.cif
204015	2017-12-06	cif/ Adding structures of 7044955, 7044956, 7044957, 7044958, 7044959, 7044960, 7044961, 7044962, 7044963, 7044964, 7044965 via cif-deposit CGI script.	7044961.cif