Crystallography Open Database

Information card for entry 7058052

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Coordinates	7058052.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H38 N7 O4 P Pd S
Calculated formula	C30 H37 N7 O4 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	28.9876 ± 0.0019 Å
b	11.458 ± 0.0007 Å
c	20.2376 ± 0.0015 Å
α	90°
β	104.786 ± 0.008°
γ	90°
Cell volume	6499.1 ± 0.8 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	7
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	0.0286
Residual factor for significantly intense reflections	0.0258
Weighted residual factors for significantly intense reflections	0.0617
Weighted residual factors for all reflections included in the refinement	0.0632
Goodness-of-fit parameter for all reflections included in the refinement	1.072
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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