Crystallography Open Database

Information card for entry 7226953

Preview

Coordinates	7226953.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C15 H25 O2.5 Pd
Calculated formula	C15 H25 O2.5 Pd
SMILES	C12=C(CCCC2)C(=[O][Pd]23(O1)[CH2]=[C]2(C3)C(C)(C)C)C.O
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	24.443 ± 0.007 Å
b	5.4443 ± 0.0009 Å
c	23.838 ± 0.008 Å
α	90°
β	111.49 ± 0.03°
γ	90°
Cell volume	2951.7 ± 1.5 Å³
Cell temperature	120 K
Ambient diffraction temperature	120 K
Number of distinct elements	4
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.1141
Residual factor for significantly intense reflections	0.0786
Weighted residual factors for significantly intense reflections	0.1772
Weighted residual factors for all reflections included in the refinement	0.1969
Goodness-of-fit parameter for all reflections included in the refinement	1.065
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
206958 (current)	2018-03-15	Fixing many Z values and formulae detected when treating files that initially displayed Z' < 1	7226953.cif
187647	2016-10-28	cif/ Adding structures of 7226951, 7226952, 7226953 via cif-deposit CGI script.	7226953.cif