Crystallography Open Database

Information card for entry 4317960

Preview

Coordinates	4317960.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C72 H148 B36 Co2 F12 N8 O19 P6 Pt3 S4
Calculated formula	C72 H144 B36 Co2 F12 N8 O19 P6 Pt3 S4
Title of publication	Solution and Solid State Studies of a Triangle-Square Equilibrium: Anion-Induced Selective Crystallization in Supramolecular Self-Assembly
Authors of publication	Manuela Schweiger; S. Russell Seidel; Atta M. Arif; Peter J. Stang
Journal of publication	Inorganic Chemistry
Year of publication	2002
Journal volume	41
Pages of publication	2556 - 2559
a	17.8621 ± 0.0004 Å
b	18.1176 ± 0.0004 Å
c	24.7289 ± 0.0005 Å
α	79.2671 ± 0.0014°
β	72.8745 ± 0.0012°
γ	62.5075 ± 0.0013°
Cell volume	6772.3 ± 0.3 Å³
Cell temperature	170 ± 1 K
Ambient diffraction temperature	170 ± 1 K
Number of distinct elements	10
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1065
Residual factor for significantly intense reflections	0.0805
Weighted residual factors for significantly intense reflections	0.2004
Weighted residual factors for all reflections included in the refinement	0.2148
Goodness-of-fit parameter for all reflections included in the refinement	1.082
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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