Crystallography Open Database

Information card for entry 4065102

Preview

Coordinates	4065102.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	5.CH2Cl2
Formula	C63 H84 Cl2 F6 N2 O6 P4 Pt2 S2
Calculated formula	C63 H84 Cl2 F6 N2 O6 P4 Pt2 S2
Title of publication	Pushing Pentacene-Based Fluorescence to the Near-Infrared Region by Platination
Authors of publication	Nguyen, Minh-Hai; Yip, John H. K.
Journal of publication	Organometallics
Year of publication	2011
Journal volume	30
Journal issue	23
Pages of publication	6383
a	9.359 ± 0.005 Å
b	19.357 ± 0.009 Å
c	20.162 ± 0.01 Å
α	77.513 ± 0.009°
β	85.523 ± 0.01°
γ	78.643 ± 0.009°
Cell volume	3494 ± 3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 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	0.1151
Residual factor for significantly intense reflections	0.0684
Weighted residual factors for significantly intense reflections	0.1758
Weighted residual factors for all reflections included in the refinement	0.1955
Goodness-of-fit parameter for all reflections included in the refinement	1.033
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
178544 (current)	2016-03-21	cif/4/06/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/06/51.	4065102.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4065102.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4065102.cif
33156	2012-02-11	../uploads/cif-deposit/cod/cif Adding structures of 4065098, 4065099, 4065100, 4065101, 4065102, 4065103 via cif-deposit CGI script.	4065102.cif