Crystallography Open Database

Information card for entry 7131612

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Coordinates	7131612.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C58 H40 Cl2 N6 O Zn
Calculated formula	C58 H40 Cl2 N6 O Zn
Title of publication	Remote template effect in the synthesis of bipyridine-strapped porphyrins.
Authors of publication	Berthe, Mathilde; Kagawa, Yoshiyuki; Riquet, Axel; Hayashi, Takashi; Weiss, Jean; Wytko, Jennifer A.
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2023
Journal volume	59
Journal issue	44
Pages of publication	6718 - 6721
a	12.0783 ± 0.0003 Å
b	13.7262 ± 0.0004 Å
c	27.7976 ± 0.0008 Å
α	90°
β	102.461 ± 0.001°
γ	90°
Cell volume	4500 ± 0.2 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 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	0.1015
Residual factor for significantly intense reflections	0.0675
Weighted residual factors for significantly intense reflections	0.1777
Weighted residual factors for all reflections included in the refinement	0.2058
Goodness-of-fit parameter for all reflections included in the refinement	1.038
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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