Crystallography Open Database

Information card for entry 7705312

Preview

Coordinates	7705312.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C57 H49.5 K4 N6.5 P2
Calculated formula	C57 H49.5 K4 N6.5 P2
Title of publication	A dianionic C<sub>3</sub>-symmetric scorpionate: synthesis and coordination chemistry.
Authors of publication	Tretiakov, Serhii; Damen, Johannes A. M.; Lutz, Martin; Moret, Marc-Etienne
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2020
Journal volume	49
Journal issue	39
Pages of publication	13549 - 13556
a	20.0632 ± 0.0012 Å
b	12.0672 ± 0.001 Å
c	42.305 ± 0.004 Å
α	90°
β	95.794 ± 0.002°
γ	90°
Cell volume	10190 ± 1.4 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for all reflections	0.0342
Residual factor for significantly intense reflections	0.0326
Weighted residual factors for significantly intense reflections	0.0827
Weighted residual factors for all reflections included in the refinement	0.0835
Goodness-of-fit parameter for all reflections included in the refinement	1.034
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
258830 (current)	2020-11-06	cif/ Updating files of 7705312, 7705313, 7705314, 7705315, 7705316, 7705317 Original log message: Adding full bibliography for 7705312--7705317.cif.	7705312.cif
255730	2020-08-29	cif/ Adding structures of 7705312, 7705313, 7705314, 7705315, 7705316, 7705317 via cif-deposit CGI script.	7705312.cif