Crystallography Open Database

Information card for entry 7046270

Preview

Coordinates	7046270.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C62 H54 B2 Cl10 F8 N3 Ni2 O2 P3
Calculated formula	C62 H54 B2 Cl10 F8 N3 Ni2 O2 P3
Title of publication	Ni(ii) complexes of the phosphine-oxime Ph<sub>2</sub>PC<sub>6</sub>H<sub>4</sub>-2-CH[double bond, length as m-dash]NOH.
Authors of publication	Basu, Debashis; Woods, Toby J.; Rauchfuss, Thomas B.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2018
Journal volume	47
Journal issue	21
Pages of publication	7256 - 7262
a	13.1695 ± 0.0005 Å
b	17.5545 ± 0.0007 Å
c	17.72 ± 0.0007 Å
α	114.398 ± 0.001°
β	108.08 ± 0.001°
γ	95.4562 ± 0.001°
Cell volume	3426.6 ± 0.2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	9
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0441
Residual factor for significantly intense reflections	0.0326
Weighted residual factors for significantly intense reflections	0.0665
Weighted residual factors for all reflections included in the refinement	0.0714
Goodness-of-fit parameter for all reflections included in the refinement	1.066
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
288187 (current)	2023-12-08	cif/7/04/62/ Removed data item '__cell_measurement_temperature' from entry 7046270 since it had the same value as the correctly named data item '_cell_measurement_temperature'.	7046270.cif
229898	2019-11-17	cif/ Updating files of 7046263, 7046264, 7046265, 7046266, 7046267, 7046268, 7046269, 7046270 Original log message: Adding full bibliography for 7046263--7046270.cif.	7046270.cif
207677	2018-05-08	cif/ Adding structures of 7046263, 7046264, 7046265, 7046266, 7046267, 7046268, 7046269, 7046270 via cif-deposit CGI script.	7046270.cif