Crystallography Open Database

Information card for entry 4086971

Preview

Coordinates	4086971.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C44 H62 Au2 F12 N6 O5 P2
Calculated formula	C44 H56 Au2 F12 N6 O5 P2
Title of publication	Donor Strength Determination of Benzoxazolin-2-ylidene, Benzobisoxazolin-2-ylidene, and Their Isocyanide Precursors by 13C NMR Spectroscopy of Their PdII and AuI Complexes
Authors of publication	Meier, Martin; Tan, Tristan Tsai Yuan; Hahn, F. Ekkehardt; Huynh, Han Vinh
Journal of publication	Organometallics
Year of publication	2017
Journal volume	36
Journal issue	2
Pages of publication	275
a	10.56 ± 0.0002 Å
b	10.6675 ± 0.0002 Å
c	12.886 ± 0.0003 Å
α	69.634 ± 0.001°
β	88.103 ± 0.001°
γ	77.301 ± 0.001°
Cell volume	1326.07 ± 0.05 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	153 ± 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	0.0377
Residual factor for significantly intense reflections	0.0359
Weighted residual factors for significantly intense reflections	0.0919
Weighted residual factors for all reflections included in the refinement	0.0934
Goodness-of-fit parameter for all reflections included in the refinement	1.167
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
191283 (current)	2017-02-04	cif/ Adding structures of 4086968, 4086969, 4086970, 4086971 via cif-deposit CGI script.	4086971.cif