Crystallography Open Database

Information card for entry 7715460

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Coordinates	7715460.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C96 H79 N20 Zn2
Calculated formula	C96 H79 N20 Zn2
Title of publication	Inducing ring distortions in unsubstituted metallophthalocyanines using axial N-heterocyclic carbenes.
Authors of publication	Kidd, Steven R.; Zhou, Wen; Warren, Jeffrey J.; Leznoff, Daniel B.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2024
Journal volume	53
Journal issue	15
Pages of publication	6537 - 6546
a	30.9681 ± 0.0019 Å
b	14.0317 ± 0.0008 Å
c	20.7176 ± 0.0013 Å
α	90°
β	118.052 ± 0.003°
γ	90°
Cell volume	7944.9 ± 0.9 Å³
Cell temperature	190 ± 2 K
Ambient diffraction temperature	189.98 K
Number of distinct elements	4
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	0.0782
Residual factor for significantly intense reflections	0.0551
Weighted residual factors for significantly intense reflections	0.1239
Weighted residual factors for all reflections included in the refinement	0.1352
Goodness-of-fit parameter for all reflections included in the refinement	1.037
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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