Crystallography Open Database

Information card for entry 4347057

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Coordinates	4347057.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	The contribution of THF was removed from diffraction pattern due its disorder.
Formula	C18 H54 B22 N2 P2 Pt
Calculated formula	C18 H54 B22 N2 P2 Pt
Title of publication	Metal Complexes with Very Large Dipole Moments: the Anionic Carborane Nitriles 12-NC-CB11X11(-) (X = H, F, CH3) as Ligands on Pt(II) and Pd(II).
Authors of publication	Šembera, Filip; Plutnar, Jan; Higelin, Alexander; Janoušek, Zbyněk; Císařová, Ivana; Michl, Josef
Journal of publication	Inorganic chemistry
Year of publication	2016
Journal volume	55
Journal issue	8
Pages of publication	3797 - 3806
a	16.5202 ± 0.0003 Å
b	16.1578 ± 0.0003 Å
c	17.9755 ± 0.0004 Å
α	90°
β	112.763 ± 0.001°
γ	90°
Cell volume	4424.49 ± 0.15 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	6
Space group number	12
Hermann-Mauguin space group symbol	C 1 2/m 1
Hall space group symbol	-C 2y
Residual factor for all reflections	0.0193
Residual factor for significantly intense reflections	0.0171
Weighted residual factors for significantly intense reflections	0.0424
Weighted residual factors for all reflections included in the refinement	0.043
Goodness-of-fit parameter for all reflections included in the refinement	1.059
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
232147 (current)	2019-11-23	cif/ Adding structures of 4347057 via cif-deposit CGI script.	4347057.cif