Crystallography Open Database

Information card for entry 4306971

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Coordinates	4306971.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C76 H78 N8 O Zn2
Calculated formula	C76 H78 N8 O Zn2
Title of publication	Modulation of the Singlet-Singlet Through-Space Energy Transfer Rates in Cofacial Bisporphyrin and Porphyrin-Corrole Dyads
Authors of publication	Claude P. Gros; Frédéric Brisach; Anastasia Meristoudi; Enrique Espinosa; Roger Guilard; Pierre D. Harvey
Journal of publication	Inorganic Chemistry
Year of publication	2007
Journal volume	46
Pages of publication	125 - 135
a	24.8884 ± 0.0002 Å
b	14.9206 ± 0.0002 Å
c	20.5194 ± 0.0002 Å
α	90°
β	125.443 ± 0.001°
γ	90°
Cell volume	6207.86 ± 0.14 Å³
Cell temperature	115 ± 2 K
Ambient diffraction temperature	115 ± 2 K
Number of distinct elements	5
Space group number	5
Hermann-Mauguin space group symbol	C 1 2 1
Hall space group symbol	C 2y
Residual factor for all reflections	0.0486
Residual factor for significantly intense reflections	0.0338
Weighted residual factors for significantly intense reflections	0.0794
Weighted residual factors for all reflections included in the refinement	0.0868
Goodness-of-fit parameter for all reflections included in the refinement	1.017
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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