Crystallography Open Database

Information card for entry 7110889

Preview

Coordinates	7110889.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C68 H28 F30 N6 O2 Pt3
Calculated formula	C68 H12 F30 N6 O2 Pt3
Title of publication	1,2-Phenylene diisocyanide for metallotriangles
Authors of publication	Espinet, Pablo; Soulantica, Katerina; Charmant, Jonathan P. H.; Orpen, A. Guy
Journal of publication	Chemical Communications
Year of publication	2000
Journal issue	11
Pages of publication	915
a	11.732 ± 0.002 Å
b	11.9065 ± 0.0015 Å
c	26.506 ± 0.003 Å
α	78.765 ± 0.009°
β	83.179 ± 0.009°
γ	65.113 ± 0.011°
Cell volume	3291.5 ± 0.8 Å³
Cell temperature	163 ± 2 K
Ambient diffraction temperature	163 ± 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	0.1051
Residual factor for significantly intense reflections	0.0531
Weighted residual factors for significantly intense reflections	0.0972
Weighted residual factors for all reflections included in the refinement	0.1108
Goodness-of-fit parameter for all reflections included in the refinement	0.957
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
180222 (current)	2016-03-26	cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/08.	7110889.cif
95998	2014-01-28	cif/ Adding structures of 7110889 via cif-deposit CGI script.	7110889.cif