Crystallography Open Database

Information card for entry 4308963

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Coordinates	4308963.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C50 H64 Cl2 Cu2 N10 O13
Calculated formula	C48 H54 Cu2 N10 O11
Title of publication	A Schiff Base Expanded Porphyrin Macrocycle that Acts as a Versatile Binucleating Ligand for Late First-Row Transition Metals
Authors of publication	Jonathan L. Sessler; Elisa Tomat; Tarak D. Mody; Vincent M. Lynch; Jacqueline M. Veauthier; Utkir Mirsaidov; John T. Markert
Journal of publication	Inorganic Chemistry
Year of publication	2005
Journal volume	44
Pages of publication	2125 - 2127
a	15.1527 ± 0.0003 Å
b	17.072 ± 0.0003 Å
c	24.7324 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	6397.9 ± 0.2 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	153 ± 2 K
Number of distinct elements	6
Space group number	52
Hermann-Mauguin space group symbol	P n n a
Hall space group symbol	-P 2a 2bc
Residual factor for all reflections	0.1348
Residual factor for significantly intense reflections	0.0798
Weighted residual factors for significantly intense reflections	0.1464
Weighted residual factors for all reflections included in the refinement	0.1509
Goodness-of-fit parameter for all reflections included in the refinement	2.203
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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