Crystallography Open Database

Information card for entry 7051275

Preview

Coordinates	7051275.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H28 N4 O2 Pd S4
Calculated formula	C32 H28 N4 O2 Pd S4
Title of publication	Crystal structures, molecular packing and picosecond optical limiting properties of quadridentate Schiff base divalent metal complexes derived from S-benzyl dithiocarbazate
Authors of publication	Zhu, Xu-Hui; Chen, Xiao-Feng; Zhang, Yong; You, Xiao-Zeng; Tan, Wei-Lian; Ji, Wei; Vittal, Jaganese J.; Tan, Goek-Kheng; Kennard, Colin H. L.
Journal of publication	New Journal of Chemistry
Year of publication	2000
Journal volume	24
Journal issue	6
Pages of publication	419
a	10.7838 ± 0.0006 Å
b	11.1477 ± 0.0006 Å
c	14.6503 ± 0.0008 Å
α	81.72 ± 0.001°
β	84.405 ± 0.001°
γ	66.35 ± 0.001°
Cell volume	1594.91 ± 0.15 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0458
Residual factor for significantly intense reflections	0.0354
Weighted residual factors for all reflections	0.0861
Weighted residual factors for significantly intense reflections	0.0806
Goodness-of-fit parameter for all reflections	1.037
Goodness-of-fit parameter for significantly intense reflections	1.059
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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