Crystallography Open Database

Information card for entry 7700356

Preview

Coordinates	7700356.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C98.6 H142 B2 Cl3.2 F4 N4 P4 Pt2 S2
Calculated formula	C98.6 H142 B2 Cl3.2 F4 N4 P4 Pt2 S2
Title of publication	Directing energy transfer in Pt(bodipy)(mercaptopyrene) dyads.
Authors of publication	Irmler, Peter; Gogesch, Franciska S.; Mang, André; Bodensteiner, Michael; Larsen, Christopher B.; Wenger, Oliver S.; Winter, Rainer F.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2019
Journal volume	48
Journal issue	31
Pages of publication	11690 - 11705
a	14.1734 ± 0.0009 Å
b	16.7856 ± 0.0012 Å
c	22.6728 ± 0.0015 Å
α	78.562 ± 0.005°
β	88.157 ± 0.005°
γ	74.328 ± 0.005°
Cell volume	5089.1 ± 0.6 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	0.087
Residual factor for significantly intense reflections	0.0576
Weighted residual factors for significantly intense reflections	0.1401
Weighted residual factors for all reflections included in the refinement	0.1505
Goodness-of-fit parameter for all reflections included in the refinement	1.052
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
224363 (current)	2019-11-08	cif/ Updating files of 7700356, 7700357 Original log message: Adding full bibliography for 7700356--7700357.cif.	7700356.cif
216587	2019-06-27	cif/ Adding structures of 7700356, 7700357 via cif-deposit CGI script.	7700356.cif