Crystallography Open Database

Information card for entry 4312696

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Coordinates	4312696.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C83 H84 Cl9 N11 O Zn2
Calculated formula	C83 H84 Cl9 N11 O Zn2
Title of publication	The Pacman Effect: A Supramolecular Strategy for Controlling the Excited-State Dynamics of Pillared Cofacial Bisporphyrins
Authors of publication	Christopher J. Chang; Zhi-Heng Loh; Yongqi Deng; Daniel G. Nocera
Journal of publication	Inorganic Chemistry
Year of publication	2003
Journal volume	42
Pages of publication	8262 - 8269
a	17.9742 ± 0.0002 Å
b	19.1934 ± 0.0003 Å
c	26.1291 ± 0.0003 Å
α	90°
β	102.176 ± 0.001°
γ	90°
Cell volume	8811.4 ± 0.2 Å³
Cell temperature	183 ± 2 K
Ambient diffraction temperature	183 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0943
Residual factor for significantly intense reflections	0.0863
Weighted residual factors for significantly intense reflections	0.2434
Weighted residual factors for all reflections included in the refinement	0.2503
Goodness-of-fit parameter for all reflections included in the refinement	1.107
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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