Crystallography Open Database

Information card for entry 4082260

Preview

Coordinates	4082260.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H33 F3 Ni O5 P2 S
Calculated formula	C16 H33 F3 Ni O5 P2 S
Title of publication	New Pincer-Type Diphosphinito (POCOP) Complexes of Nickel
Authors of publication	Pandarus, Valerica; Zargarian, Davit
Journal of publication	Organometallics
Year of publication	2007
Journal volume	26
Journal issue	17
Pages of publication	4321
a	9.6621 ± 0.0003 Å
b	9.9213 ± 0.0002 Å
c	28.2123 ± 0.0007 Å
α	80.107 ± 0.001°
β	83.663 ± 0.001°
γ	60.95 ± 0.001°
Cell volume	2327.92 ± 0.11 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0756
Residual factor for significantly intense reflections	0.055
Weighted residual factors for significantly intense reflections	0.1402
Weighted residual factors for all reflections included in the refinement	0.1527
Goodness-of-fit parameter for all reflections included in the refinement	0.976
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
178711 (current)	2016-03-21	cif/4/08/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/08/22.	4082260.cif
99260	2014-01-30	cif/ Adding structures of 4082260 via cif-deposit CGI script.	4082260.cif