Crystallography Open Database

Information card for entry 7058053

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Coordinates	7058053.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C43 H56 N7 O3 P Pd S
Calculated formula	C37 H40 N7 O3 P Pd S
Title of publication	Syntheses and structural aspects of six-membered palladacyclic complexes derived from N,N′,N′′-triarylguanidines with N- or S-thiocyanate ligands
Authors of publication	Saxena, Priya; Thomas, Jisha Mary; Sivasankar, Chinnappan; Thirupathi, Natesan
Journal of publication	New Journal of Chemistry
Year of publication	2019
Journal volume	43
Journal issue	5
Pages of publication	2307
a	10.9588 ± 0.0005 Å
b	13.9322 ± 0.0008 Å
c	15.0765 ± 0.0006 Å
α	112.29 ± 0.004°
β	97.668 ± 0.004°
γ	108.324 ± 0.005°
Cell volume	1936.4 ± 0.2 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 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	0.0582
Residual factor for significantly intense reflections	0.0476
Weighted residual factors for significantly intense reflections	0.1343
Weighted residual factors for all reflections included in the refinement	0.1394
Goodness-of-fit parameter for all reflections included in the refinement	1.077
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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