Crystallography Open Database

Information card for entry 7056977

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Coordinates	7056977.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C114 H41 Ir N4
Calculated formula	C114 H41 Ir N4
Title of publication	Complexes of guest‒host type between C60 and group 9 metalloporphyrins
Authors of publication	To, Ching Tat; Chan, Kin Shing
Journal of publication	New Journal of Chemistry
Year of publication	2018
Journal volume	42
Journal issue	10
Pages of publication	7599
a	16.3792 ± 0.0007 Å
b	22.5894 ± 0.001 Å
c	21.6432 ± 0.001 Å
α	90°
β	94.058 ± 0.001°
γ	90°
Cell volume	7987.8 ± 0.6 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 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	0.0303
Residual factor for significantly intense reflections	0.0262
Weighted residual factors for significantly intense reflections	0.0641
Weighted residual factors for all reflections included in the refinement	0.0652
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	Yes
Has F_obs	No

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