Crystallography Open Database

Information card for entry 7705297

Preview

Coordinates	7705297.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C56 H38 N2 O4 Pd2
Calculated formula	C56 H38 N2 O4 Pd2
Title of publication	Fluorescent perylenylpyridine complexes: an experimental and theoretical study.
Authors of publication	Expósito, J Emilio; Aullón, Gabriel; Bardají, Manuel; Miguel, Jesús A; Espinet, Pablo
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2020
Journal volume	49
Journal issue	38
Pages of publication	13326 - 13338
a	18.6782 ± 0.0008 Å
b	17.1192 ± 0.0005 Å
c	16.1066 ± 0.0007 Å
α	90°
β	116.206 ± 0.006°
γ	90°
Cell volume	4620.8 ± 0.4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0506
Residual factor for significantly intense reflections	0.0329
Weighted residual factors for significantly intense reflections	0.0741
Weighted residual factors for all reflections included in the refinement	0.0841
Goodness-of-fit parameter for all reflections included in the refinement	1.011
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
258860 (current)	2020-11-06	cif/ Updating files of 7705296, 7705297, 7705298, 7705299, 7705300, 7705301 Original log message: Adding full bibliography for 7705296--7705301.cif.	7705297.cif
255724	2020-08-29	cif/ Adding structures of 7705296, 7705297, 7705298, 7705299, 7705300, 7705301 via cif-deposit CGI script.	7705297.cif