Crystallography Open Database

Information card for entry 7226952

Preview

Coordinates	7226952.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H22 O4 Pd
Calculated formula	C16 H22 O4 Pd
SMILES	CC1=[O][Pd]2(OC3=C1CCCC3)[O]=C(C1=C(O2)CCCC1)C
Title of publication	Bis(β-diketonato)- and allyl-(β-diketonato)-palladium(ii) complexes: synthesis, characterization and MOCVD application
Authors of publication	Assim, K.; Melzer, M.; Korb, M.; Rüffer, T.; Jakob, A.; Noll, J.; Georgi, C.; Schulz, S. E.; Lang, H.
Journal of publication	RSC Adv.
Year of publication	2016
Journal volume	6
Journal issue	104
Pages of publication	102557
a	14.4316 ± 0.0005 Å
b	6.5451 ± 0.0002 Å
c	15.6537 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	1478.59 ± 0.08 Å³
Cell temperature	115 K
Ambient diffraction temperature	115 K
Number of distinct elements	4
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0362
Residual factor for significantly intense reflections	0.0269
Weighted residual factors for significantly intense reflections	0.0626
Weighted residual factors for all reflections included in the refinement	0.0671
Goodness-of-fit parameter for all reflections included in the refinement	1.054
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
187647 (current)	2016-10-28	cif/ Adding structures of 7226951, 7226952, 7226953 via cif-deposit CGI script.	7226952.cif