Crystallography Open Database

Information card for entry 4336155

Preview

Structure parameters

Formula	C46 H45 B Cl2 F8 N4 O2 Pd
Calculated formula	C46 H45 B Cl2 F8 N4 O2 Pd
SMILES	[Pd]12([N](=C3c4c([N]5=C3c3[n]2c2c(c3N(c3c(cccc3C(C)C)C(C)C)[B]5(F)F)cccc2)cccc4)c2c(cccc2C(C)C)C(C)C)OC(=CC(=[O]1)C(F)(F)F)C(F)(F)F.ClCCl
Title of publication	Synthesis and Characterization of Heterobimetallic (Pd/B) Nindigo Complexes and Comparisons to Their Homobimetallic (Pd2, B2) Analogues
Authors of publication	Graeme Nawn; Robert McDonald; Robin G. Hicks
Journal of publication	Inorganic Chemistry
Year of publication	2013
Journal volume	52
Pages of publication	10912 - 10919
a	9.4672 ± 0.0003 Å
b	14.2029 ± 0.0005 Å
c	17.336 ± 0.0006 Å
α	78.0317 ± 0.0004°
β	88.9814 ± 0.0004°
γ	76.9012 ± 0.0004°
Cell volume	2219.98 ± 0.13 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	8
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.049
Residual factor for significantly intense reflections	0.0433
Weighted residual factors for significantly intense reflections	0.1226
Weighted residual factors for all reflections included in the refinement	0.1293
Goodness-of-fit parameter for all reflections included in the refinement	1.055
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4336155.html