Crystallography Open Database

Information card for entry 4518234

Preview

Coordinates	4518234.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C50 H104 F33 N16 O18 P3 Pd2 Pt4 Rh2
Calculated formula	C50 H104 F33 N16 O18 P3 Pd2 Pt4 Rh2
Title of publication	Modulation of Band Gaps toward Varying Conductivities in Heterometallic One-Dimensional Chains by Ligand Alteration and Third Metal Insertion
Authors of publication	Uemura, Kazuhiro; Ito, Daiki; Pirillo, Jenny; Hijikata, Yuh; Saeki, Akinori
Journal of publication	ACS Omega
Year of publication	2020
Journal volume	5
Journal issue	47
Pages of publication	30502 - 30518
a	13.872 ± 0.006 Å
b	18.09 ± 0.008 Å
c	20.222 ± 0.008 Å
α	88.162 ± 0.012°
β	85.843 ± 0.001°
γ	88.603 ± 0.008°
Cell volume	5057 ± 4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	9
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1735
Residual factor for significantly intense reflections	0.0925
Weighted residual factors for significantly intense reflections	0.1452
Weighted residual factors for all reflections included in the refinement	0.1771
Goodness-of-fit parameter for all reflections included in the refinement	1.094
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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